Np mrd loader

Record Information
Version2.0
Created at2024-09-11 13:40:31 UTC
Updated at2024-09-11 13:40:31 UTC
NP-MRD IDNP0338063
Secondary Accession NumbersNone
Natural Product Identification
Common NameSucrose octaacetate
Description Sucrose octaacetate was first documented in 2020 (PMID: 32791180). Based on a literature review a small amount of articles have been published on Sucrose octaacetate (PMID: 38403345) (PMID: 38248704) (PMID: 32621941) (PMID: 32471227).
Structure
Thumb
Synonyms
ValueSource
Sucrose octaacetic acidGenerator
Chemical FormulaC28H38O19
Average Mass678.5930 Da
Monoisotopic Mass678.20073 Da
IUPAC Name[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate
Traditional Name[3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate
CAS Registry NumberNot Available
SMILES
CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChI Identifier
InChI=1/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3
InChI KeyZIJKGAXBCRWEOL-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area238.09 ŲChemAxon
Rotatable Bond Count21ChemAxon
Refractivity141.99 m³·mol⁻¹ChemAxon
Polarizability63.4 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSucrose octaacetate
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Tang RH, Huang SL, Zhang ZF, Li CY, Tang SW, Zheng YF, Peng GP: [Preparation and effectiveness evaluation of placebo of Jiawei Ermiao Granules]. Zhongguo Zhong Yao Za Zhi. 2024 Jan;49(1):123-129. doi: 10.19540/j.cnki.cjcmm.20231101.302. [PubMed:38403345 ]
  2. Takada R, Takagi R, Matsuyama H: High-Degree Concentration Organic Solvent Forward Osmosis for Pharmaceutical Pre-Concentration. Membranes (Basel). 2024 Jan 4;14(1):14. doi: 10.3390/membranes14010014. [PubMed:38248704 ]
  3. Smutzer G, Cherian S, Patel D, Lee BS, Lee K, Sotelo AR, Mitchell KW: A formulation for suppressing bitter taste in the human oral cavity. Physiol Behav. 2020 Nov 1;226:113129. doi: 10.1016/j.physbeh.2020.113129. Epub 2020 Aug 11. [PubMed:32791180 ]
  4. Sclafani A, Ackroff K: Nutrient-conditioned intake stimulation does not require a distinctive flavor cue in rats. Appetite. 2020 Nov 1;154:104793. doi: 10.1016/j.appet.2020.104793. Epub 2020 Jul 1. [PubMed:32621941 ]
  5. Higgins MJ, Hayes JE: Discrimination of Isointense Bitter Stimuli in a Beer Model System. Nutrients. 2020 May 27;12(6):1560. doi: 10.3390/nu12061560. [PubMed:32471227 ]