ChemSpider 2D Image | 2-Chloro-4-nitrophenyl alpha-D-allopyranosyl-(1->4)-alpha-D-allopyranosyl-(1->4)-beta-D-allopyranoside | C24H34ClNO18

2-Chloro-4-nitrophenyl α-D-allopyranosyl-(1->4)-α-D-allopyranosyl-(1->4)-β-D-allopyranoside

  • Molecular FormulaC24H34ClNO18
  • Average mass659.976 Da
  • Monoisotopic mass659.146423 Da
  • ChemSpider ID114812745

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Chlor-4-nitrophenyl-α-D-allopyranosyl-(1->4)-α-D-allopyranosyl-(1->4)-β-D-allopyranosid [German] [ACD/IUPAC Name]
2-Chloro-4-nitrophenyl α-D-allopyranosyl-(1->4)-α-D-allopyranosyl-(1->4)-β-D-allopyranoside [ACD/IUPAC Name]
α-D-Allopyranosyl-(1->4)-α-D-allopyranosyl-(1->4)-β-D-allopyranoside de 2-chloro-4-nitrophényle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, 2-chloro-4-nitrophenyl O-α-D-allopyranosyl-(1->4)-O-α-D-allopyranosyl-(1->4)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 976.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 544.1±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 304 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 111.2±5.0 dyne/cm
Molar Volume: 367.2±5.0 cm3

Click to predict properties on the Chemicalize site


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