ChemSpider 2D Image | 4-Nitrophenyl 2-acetamido-2-deoxy-beta-D-mannopyranosyl-(1->2)-6-O-methyl-alpha-D-mannopyranosyl-(1->6)-beta-D-glucopyranoside | C27H40N2O18

4-Nitrophenyl 2-acetamido-2-deoxy-β-D-mannopyranosyl-(1->2)-6-O-methyl-α-D-mannopyranosyl-(1->6)-β-D-glucopyranoside

  • Molecular FormulaC27H40N2O18
  • Average mass680.609 Da
  • Monoisotopic mass680.227600 Da
  • ChemSpider ID166986

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-β-D-mannopyranosyl-(1->2)-6-O-méthyl-α-D-mannopyranosyl-(1->6)-β-D-glucopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 2-acetamido-2-deoxy-β-D-mannopyranosyl-(1->2)-6-O-methyl-α-D-mannopyranosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-2-acetamido-2-desoxy-β-D-mannopyranosyl-(1->2)-6-O-methyl-α-D-mannopyranosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-nitrophenyl O-2-(acetylamino)-2-deoxy-β-D-mannopyranosyl-(1->2)-O-6-O-methyl-α-D-mannopyranosyl-(1->6)- [ACD/Index Name]
147985-37-3 [RN]
4-Nitrophenyl O-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(6-O-methylmannopyranosyl)-(1-6)-glucopyranoside
4-NO2Ph-ooah

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1017.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.6±3.0 kJ/mol
Flash Point: 569.0±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.47
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.47
Polar Surface Area: 301 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 90.3±5.0 dyne/cm
Molar Volume: 420.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement