ChemSpider 2D Image | 1-O-{(E)-[(3aR,5aR,8R,9S,9aS,9bS)-8,9-Dihydroxy-1,3-dioxo-2-(3-phenoxyphenyl)dodecahydro-6H-benzo[e]isoindol-6-ylidene]amino}-beta-D-glucopyranose | C30H34N2O11

1-O-{(E)-[(3aR,5aR,8R,9S,9aS,9bS)-8,9-Dihydroxy-1,3-dioxo-2-(3-phenoxyphenyl)dodecahydro-6H-benzo[e]isoindol-6-ylidene]amino}-β-D-glucopyranose

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID7827198

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

1-O-{(E)-[(3aR,5aR,8R,9S,9aS,9bS)-8,9-Dihydroxy-1,3-dioxo-2-(3-phenoxyphenyl)dodecahydro-6H-benzo[e]isoindol-6-yliden]amino}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(E)-[(3aR,5aR,8R,9S,9aS,9bS)-8,9-Dihydroxy-1,3-dioxo-2-(3-phenoxyphenyl)dodecahydro-6H-benzo[e]isoindol-6-ylidene]amino}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{(E)-[(3aR,5aR,8R,9S,9aS,9bS)-8,9-Dihydroxy-1,3-dioxo-2-(3-phénoxyphényl)dodécahydro-6H-benzo[e]isoindol-6-ylidène]amino}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[[(3aR,5aR,6E,8R,9S,9aS,9bS)-dodecahydro-8,9-dihydroxy-1,3-dioxo-2-(3-phenoxyphenyl)-6H-benz[e]isoindol-6-ylidene]amino]- [ACD/Index Name]
CMLDBU00002396

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

Density: 1.7±0.1 g/cm3
Boiling Point: 894.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 494.5±37.1 °C
Index of Refraction: 1.738
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 65.74
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 65.74
Polar Surface Area: 199 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 356.7±7.0 cm3

Click to predict properties on the Chemicalize site


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