ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-4-O-methyl-alpha-D-mannopyranosyl 1-C-(4-nitrophenyl)-beta-D-glucopyranoside | C27H40N2O18

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-4-O-methyl-α-D-mannopyranosyl 1-C-(4-nitrophenyl)-β-D-glucopyranoside

  • Molecular FormulaC27H40N2O18
  • Average mass680.609 Da
  • Monoisotopic mass680.227600 Da
  • ChemSpider ID2339311

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

1-C-(4-Nitrophényl)-β-D-glucopyranoside de 2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-4-O-méthyl-α-D-mannopyranosyle [French] [ACD/IUPAC Name]
2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-4-O-methyl-α-D-mannopyranosyl 1-C-(4-nitrophenyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-4-O-methyl-α-D-mannopyranosyl-1-C-(4-nitrophenyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-4-O-methyl-α-D-mannopyranosyl 1-C-(4-nitrophenyl)- [ACD/Index Name]
131089-46-8 [RN]
4-Nadgmg
4-nitrophenyl O-(2- acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4-O-methylmannopyranosyl)-(1-6)-glucop
4-NITROPHENYL O-(2- ACETAMIDO-2-DEOXYGLUCOPYRANOSYL)-(1-2)-O-(4-O-METHYLMANNOPYRANOSYL)-(1-6)-GLUCOPYRANOSIDE
4-Nitrophenyl O-(2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4-O-methylmannopyranosyl)-(1-6)-glucopyranoside
4-Nitrophenyl O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1-2)-O-(4-O-methyl-α-D-mannopyranosyl)-(1-6)-β-D-glucopyranoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 1024.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.7±3.0 kJ/mol
Flash Point: 573.1±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.49
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.49
Polar Surface Area: 312 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 96.8±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

Click to predict properties on the Chemicalize site


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