ChemSpider 2D Image | 4-Nitrophenyl 6-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside | C18H25NO13

4-Nitrophenyl 6-O-α-D-glucopyranosyl-α-D-glucopyranoside

  • Molecular FormulaC18H25NO13
  • Average mass463.390 Da
  • Monoisotopic mass463.132599 Da
  • ChemSpider ID32696757

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

136734-56-0 [RN]
4-Nitrophenyl 6-O-α-D-glucopyranosyl-α-D-glucopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-6-O-α-D-glucopyranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-α-D-glucopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 4-nitrophenyl 6-O-α-D-glucopyranosyl- [ACD/Index Name]
4-Nitrophenyl 6-O-(a-D-glucopyranosyl)-a-D-glucopyranoside
MFCD07369594 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 791.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 101.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 224 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 100.9±5.0 dyne/cm
Molar Volume: 272.2±5.0 cm3

Click to predict properties on the Chemicalize site


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