ChemSpider 2D Image | 2-({4-[(2-Acetamido-2-deoxy-4-O-sulfohexopyranosyl)oxy]-5-(hydroxymethyl)prolyl}amino)ethanesulfonic acid | C16H29N3O14S2

2-({4-[(2-Acetamido-2-deoxy-4-O-sulfohexopyranosyl)oxy]-5-(hydroxymethyl)prolyl}amino)ethanesulfonic acid

  • Molecular FormulaC16H29N3O14S2
  • Average mass551.543 Da
  • Monoisotopic mass551.109070 Da
  • ChemSpider ID2376

More details:

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

2-({4-[(2-Acetamido-2-deoxy-4-O-sulfohexopyranosyl)oxy]-5-(hydroxymethyl)prolyl}amino)ethanesulfonic acid [ACD/IUPAC Name]
2-({4-[(2-Acetamido-2-desoxy-4-O-sulfohexopyranosyl)oxy]-5-(hydroxymethyl)prolyl}amino)ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-({4-[(2-acétamido-2-désoxy-4-O-sulfohexopyranosyl)oxy]-5-(hydroxyméthyl)prolyl}amino)éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[[4-[[2-(acetylamino)-2-deoxy-4-O-sulfohexopyranosyl]oxy]-5-(hydroxymethyl)-2-pyrrolidinyl]carbonyl]amino]- [ACD/Index Name]
2-[(4-{[3-ACETAMIDO-4-HYDROXY-6-(HYDROXYMETHYL)-5-(SULFOOXY)OXAN-2-YL]OXY}-5-(HYDROXYMETHYL)PYRROLIDIN-2-YL)FORMAMIDO]ETHANESULFONIC ACID
92953-54-3 [RN]
bulgecin a

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.78
ACD/LogD (pH 5.5): -9.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 94.8±5.0 dyne/cm
Molar Volume: 319.3±5.0 cm3

Click to predict properties on the Chemicalize site


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