ChemSpider 2D Image | 2-{[3-(4-Methoxyphenyl)-2-aziridinyl]carbonyl}phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside | C30H34N2O11

2-{[3-(4-Methoxyphenyl)-2-aziridinyl]carbonyl}phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID35177227

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2-{[3-(4-Methoxyphenyl)-2-aziridinyl]carbonyl}phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
2-{[3-(4-Methoxyphenyl)-2-aziridinyl]carbonyl}phenyl-2-acetamido-3,4,6-tri-O-acetyl-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-β-D-glucopyranoside de 2-{[3-(4-méthoxyphényl)-2-aziridinyl]carbonyl}phényle [French] [ACD/IUPAC Name]
Methanone, [3-(4-methoxyphenyl)-2-aziridinyl][2-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 764.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.52
ACD/KOC (pH 5.5): 127.93
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.50
ACD/KOC (pH 7.4): 147.19
Polar Surface Area: 175 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 443.3±5.0 cm3

Click to predict properties on the Chemicalize site


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