ChemSpider 2D Image | 2-Deoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-alpha-L-idopyranuronosyl)-alpha-D-glucopyranose | C12H21NO20S3

2-Deoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-α-L-idopyranuronosyl)-α-D-glucopyranose

  • Molecular FormulaC12H21NO20S3
  • Average mass595.485 Da
  • Monoisotopic mass594.981873 Da
  • ChemSpider ID7988167
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-Deoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-α-L-idopyranuronosyl)-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-α-L-idopyranuronosyl)-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-α-L-idopyranuronosyl)-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-α-L-idopyranuronosyl)-, 6-(hydrogen sulfate) [ACD/Index Name]
76149-63-8 [RN]
9005-49-6 [RN]
H1S
HEPARIN DISACCHARIDE I-S
Heparinsodiumsalt
  • Miscellaneous
    • Toxicity:

      Organic Compound; Ester; Drug; Food Toxin; Anticoagulant; Fibrinolytic Agent; Heparin; Metabolite; Animal Toxin; Natural Compound Toxin, Toxin-Target Database T3D2566

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 104.5±0.0 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -8.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 41.4±0.0 10-24cm3
Surface Tension: 154.7±0.0 dyne/cm
Molar Volume: 267.0±0.0 cm3

Click to predict properties on the Chemicalize site






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