ChemSpider 2D Image | Benzyl 2-acetamido-2-deoxy-4,6-O-isopropylidene-3-O-(2,3,4-tri-O-acetyl-6-methyl-beta-D-glucopyranuronosyl)-beta-D-glucopyranoside | C31H41NO15

Benzyl 2-acetamido-2-deoxy-4,6-O-isopropylidene-3-O-(2,3,4-tri-O-acetyl-6-methyl-β-D-glucopyranuronosyl)-β-D-glucopyranoside

  • Molecular FormulaC31H41NO15
  • Average mass667.655 Da
  • Monoisotopic mass667.247620 Da
  • ChemSpider ID9344911

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-4,6-O-isopropylidène-3-O-(2,3,4-tri-O-acétyl-6-méthyl-β-D-glucopyranuronosyl)-β-D-glucopyranoside de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-acetamido-2-deoxy-4,6-O-isopropylidene-3-O-(2,3,4-tri-O-acetyl-6-methyl-β-D-glucopyranuronosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
Benzyl-2-acetamido-2-desoxy-4,6-O-isopropyliden-3-O-(2,3,4-tri-O-acetyl-6-methyl-β-D-glucopyranuronosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-4,6-O-(1-methylethylidene)-3-O-(2,3,4-tri-O-acetyl-6-methyl-β-D-glucopyranuronosyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.68
ACD/KOC (pH 5.5): 1296.56
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.68
ACD/KOC (pH 7.4): 1296.56
Polar Surface Area: 190 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 498.1±5.0 cm3

Click to predict properties on the Chemicalize site


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