Np mrd loader

Record Information
Version2.0
Created at2024-09-11 08:39:33 UTC
Updated at2024-09-11 08:39:34 UTC
NP-MRD IDNP0336969
Secondary Accession NumbersNone
Natural Product Identification
Common Namebeta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose
DescriptionBeta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Based on a literature review very few articles have been published on beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose.
Structure
Thumb
Synonyms
ValueSource
b-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-b-D-glucopyranosyl-(1->6)-D-mannoseGenerator
Β-D-galactopyranosyl-(1->4)-2-amino-2-deoxy-β-D-glucopyranosyl-(1->6)-D-mannoseGenerator
Chemical FormulaC18H33NO15
Average Mass503.4540 Da
Monoisotopic Mass503.18502 Da
IUPAC Name6-({[3-amino-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
Traditional Name6-({[3-amino-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol
CAS Registry NumberNot Available
SMILES
NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(O)C(O)C(O)C1O
InChI Identifier
InChI=1/C18H33NO15/c19-7-10(24)15(34-18-14(28)12(26)8(22)4(1-20)32-18)5(2-21)33-17(7)30-3-6-9(23)11(25)13(27)16(29)31-6/h4-18,20-29H,1-3,19H2
InChI KeyGSVMXPZDCHWGCZ-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • Aminoglycoside core
  • Glycosyl compound
  • O-glycosyl compound
  • Amino saccharide
  • Oxane
  • 1,2-aminoalcohol
  • Hemiacetal
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Amine
  • Primary alcohol
  • Primary amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
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-6.6ChemAxon
pKa (Strongest Acidic)11.25ChemAxon
pKa (Strongest Basic)8.08ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area274.47 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity102.41 m³·mol⁻¹ChemAxon
Polarizability48.19 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available