ChemSpider 2D Image | J177FOW5JL | C31H53N3O49S8

J177FOW5JL

  • Molecular FormulaC31H53N3O49S8
  • Average mass1508.263 Da
  • Monoisotopic mass1506.951294 Da
  • ChemSpider ID4445600
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

104993-28-4 [RN]
2-Désoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->4)-2-désoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-2-O-sulfo-α-L-idopyranuronosyl -(1->4)-2-désoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
J177FOW5JL
Methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-2-O-sulfo-α-L-idopyranuro nosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranoside [ACD/IUPAC Name]
Methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-2-O-sulfo-α-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranoside
Methyl-2-desoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-β-D-glucopyranuronosyl-(1->4)-2-desoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-2-O-sulfo-α-L-idopyranu ronosyl-(1->4)-2-desoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-O-β-D-glucopyranuronosyl-(1->4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4 )-O-2-O-sulfo-α-L-idopyranuronosyl-(1->4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate) [ACD/Index Name]
α-D-glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-O-β-D-glucopyranuronosyl-(1->4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1->4)-O-2-O-sulfo-α-L-idopyranuronosyl-(1->4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate)
(2R,3S,4S,5R,6R)-3-{[(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-carboxy-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3-(sulfoamino)-4-(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4-hydroxy-6-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylic acid
[104993-28-4]
More...
  • Miscellaneous
    • Chemical Class:

      A synthetic pentasaccharide which, apart from the <element>O</element>-methyl group at the reducing end of the molecule, consists of monomeric sugar units which are identical to a sequence of five mon omeric sugar units that can be isolated after either chemical or enzymatic cleavage of the polymeric glycosaminoglycans heparin and heparan sulfate. ChEBI CHEBI:61033
      A synthetic pentasaccharide which, apart from the O-methyl group at the reducing end of the molecule, consists of monomeric sugar units which are identical to a sequence of five mon; omeric sugar unit s that can be isolated after either chemical or enzymatic cleavage of the polymeric glycosaminoglycans heparin and heparan sulfate. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61033

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 267.3±0.4 cm3
#H bond acceptors: 52
#H bond donors: 19
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -4.89
ACD/LogD (pH 5.5): -23.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -23.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 873 Å2
Polarizability: 106.0±0.5 10-24cm3
Surface Tension: 168.1±5.0 dyne/cm
Molar Volume: 662.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement