NP-MRD: Showing NP-Card for (2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol (NP0323672)

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Record Information

Version

2.0

Created at

2022-09-12 03:15:23 UTC

Updated at

2022-09-12 03:15:23 UTC

NP-MRD ID

NP0323672

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol

Description

Mycalin a belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Thus, mycalin a is considered to be a halogenated acetogenin. (2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol is found in Mycale rotalis. (2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol was first documented in 2020 (PMID: 32751383). Based on a literature review very few articles have been published on Mycalin a.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.0761    0.6289   -2.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0074    0.9908   -1.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6941    1.4436   -1.1759 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0002    2.7829   -2.3605 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8239    0.2344   -1.0832 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4369   -0.7471   -0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -1.0388    0.8250 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4198   -0.1753    1.8948 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1524   -0.6940   -0.1230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2291   -0.9754    0.2326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1717   -2.8387    0.9291 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9077   -0.1231    1.2742 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1405   -0.6946    1.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2706   -0.1032    1.0988 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2848   -1.0712    0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8017   -1.7752   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1521    1.0247    0.0881 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8697    1.7886   -0.2654 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2222    2.0041    0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8894    1.2966    0.8719 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2065    2.3864    2.0707 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5385    0.5110   -0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0141    0.3228   -2.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780    1.8975   -0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039   -0.2107   -2.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907   -0.3397    0.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796   -1.6682   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -2.1032    1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441    0.6880    1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533   -1.4163   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8440   -1.0638   -0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436   -0.2234    2.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8077    0.3723    1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4501   -1.8481    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2464   -0.5327    0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8712   -2.3326   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5601   -2.5610   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167   -1.0955   -1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6201    0.7227   -0.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6611    2.1906    1.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    2.9184    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4522    1.4277   -0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 10  1  0
 10 11  1  0
 10  9  1  0
  9 22  1  0
 22  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  3  1  0
  3  4  1  0
  3  2  1  0
  2  1  3  0
 12 20  1  0
 20 21  1  0
 20 19  1  0
 19 17  1  0
 17 18  1  0
 17 14  1  0
  7  9  1  0
 16 36  1  0
 16 37  1  0
 16 38  1  0
 15 34  1  0
 15 35  1  0
 14 33  1  1
 12 32  1  1
 10 31  1  6
  9 30  1  6
  5 25  1  6
  6 26  1  0
  6 27  1  0
  7 28  1  1
  8 29  1  0
  3 24  1  1
  1 23  1  0
 20 42  1  6
 19 40  1  0
 19 41  1  0
 17 39  1  6
M  END


  Mrv1652309122205152D          

 22 23  0  0  1  0            999 V2000
    3.4656    0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.4741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3222   -0.0616    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4748   -3.9898    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -3.1499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1661   -3.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866   -3.7311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4715   -4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -5.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.9774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1426   -2.8911    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0168   -2.3962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4682   -1.7287    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  1  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  1  0  0  0
  9 22  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0323672

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1O[C@@H]([C@H](Br)[C@H]2O[C@H](C[C@H]2O)[C@H](Br)C#C)[C@H](Br)C[C@@H]1Br

> <INCHI_IDENTIFIER>
InChI=1S/C15H20Br4O3/c1-3-7(16)12-6-10(20)15(22-12)13(19)14-9(18)5-8(17)11(4-2)21-14/h1,7-15,20H,4-6H2,2H3/t7-,8+,9-,10-,11-,12-,13+,14-,15+/m1/s1

> <INCHI_KEY>
VKCGWMHGGUSMKL-DPFSWFAKSA-N

> <FORMULA>
C15H20Br4O3

> <MOLECULAR_WEIGHT>
567.938

> <EXACT_MASS>
563.814597

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
42.03144434468672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,5R)-2-[(R)-bromo[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-yn-1-yl]oxolan-3-ol

> <JCHEM_LOGP>
4.209598958333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.256742568969536

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.069941346232724

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2056059590691843

> <JCHEM_POLAR_SURFACE_AREA>
38.69

> <JCHEM_REFRACTIVITY>
99.33289999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,5R)-2-[(R)-bromo[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-yn-1-yl]oxolan-3-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       6.469   0.655   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.136  -0.115   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.802  -0.885   0.000  0.00  0.00           C+0
HETATM    4 Br   UNK     0       2.468  -0.115   0.000  0.00  0.00          Br+0
HETATM    5  C   UNK     0       3.802  -2.425   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.048  -3.330   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.572  -4.795   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.477  -6.041   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.032  -4.795   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.127  -6.041   0.000  0.00  0.00           C+0
HETATM   11 Br   UNK     0       2.753  -7.448   0.000  0.00  0.00          Br+0
HETATM   12  C   UNK     0       0.595  -5.880   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.310  -7.126   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.842  -6.965   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.747  -8.211   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.120  -9.617   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.468  -5.558   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0      -4.000  -5.397   0.000  0.00  0.00          Br+0
HETATM   19  C   UNK     0      -1.563  -4.312   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.031  -4.473   0.000  0.00  0.00           C+0
HETATM   21 Br   UNK     0       0.874  -3.227   0.000  0.00  0.00          Br+0
HETATM   22  O   UNK     0       2.556  -3.330   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   22                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   12   21                                                  
CONECT   21   20                                                            
CONECT   22    9    5                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀Br₄O₃

Average Mass

567.9380 Da

Monoisotopic Mass

563.81460 Da

IUPAC Name

(2S,3R,5R)-2-[(R)-bromo[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-yn-1-yl]oxolan-3-ol

Traditional Name

(2S,3R,5R)-2-[(R)-bromo[(2R,3R,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1R)-1-bromoprop-2-yn-1-yl]oxolan-3-ol

CAS Registry Number

Not Available

SMILES

CC[C@H]1O[C@@H]([C@H](Br)[C@H]2O[C@H](C[C@H]2O)[C@H](Br)C#C)[C@H](Br)C[C@@H]1Br

InChI Identifier

InChI=1S/C15H20Br4O3/c1-3-7(16)12-6-10(20)15(22-12)13(19)14-9(18)5-8(17)11(4-2)21-14/h1,7-15,20H,4-6H2,2H3/t7-,8+,9-,10-,11-,12-,13+,14-,15+/m1/s1

InChI Key

VKCGWMHGGUSMKL-DPFSWFAKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Mycale rotalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Oxane
Tetrahydrofuran
Secondary alcohol
Acetylide
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Alkyl bromide
Organohalogen compound
Organobromide
Hydrocarbon derivative
Alkyl halide
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.21	ChemAxon
pKa (Strongest Acidic)	14.07	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	38.69 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	99.33 m³·mol⁻¹	ChemAxon
Polarizability	42.03 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00042871

Chemspider ID

10473212

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14777631

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Capasso D, Borbone N, Terracciano M, Di Gaetano S, Piccialli V: Antiproliferative Activity of Mycalin A and Its Analogues on Human Skin Melanoma and Human Cervical Cancer Cells. Mar Drugs. 2020 Jul 29;18(8):402. doi: 10.3390/md18080402. [PubMed:32751383 ]
LOTUS database [Link]

Showing NP-Card for (2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol (NP0323672)

MOL for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

3D MOL for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

3D SDF for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

3D-SDF for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

PDB for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

3D PDB for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

SMILES for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

INCHI for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

Structure for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)

3D Structure for NP0323672 ((2s,3r,5r)-2-[(r)-bromo[(2r,3r,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl]-5-[(1r)-1-bromoprop-2-yn-1-yl]oxolan-3-ol)