ChemSpider 2D Image | Benzyl 3,6-di-O-benzyl-2-{[4-carboxy-1-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]amino}-2-deoxy-beta-D-glucopyranoside | C40H47NO9

Benzyl 3,6-di-O-benzyl-2-{[4-carboxy-1-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]amino}-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC40H47NO9
  • Average mass685.802 Da
  • Monoisotopic mass685.325073 Da
  • ChemSpider ID9642934

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,6-Di-O-benzyl-2-{[4-carboxy-1-(4,4-diméthyl-2,6-dioxocyclohexylidène)butyl]amino}-2-désoxy-β-D-glucopyranoside de benzyle [French] [ACD/IUPAC Name]
Benzyl 3,6-di-O-benzyl-2-{[4-carboxy-1-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]amino}-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
Benzyl-3,6-di-O-benzyl-2-{[4-carboxy-1-(4,4-dimethyl-2,6-dioxocyclohexyliden)butyl]amino}-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, phenylmethyl 2-[[4-carboxy-1-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]amino]-2-deoxy-3,6-bis-O-(phenylmethyl)- [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: 842.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 463.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 187.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 1687.96
ACD/KOC (pH 5.5): 3972.17
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 26.64
ACD/KOC (pH 7.4): 62.69
Polar Surface Area: 141 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 540.2±5.0 cm3

Click to predict properties on the Chemicalize site


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