ChemSpider 2D Image | Methyl 4-(9H-beta-carbolin-1-ylmethyl)-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate | C27H30N2O9

Methyl 4-(9H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID4475623

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-, methyl ester [ACD/Index Name]
4-(9H-β-Carbolin-1-ylméthyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(9H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-4-(9H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
Desoxycordifoline

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

Density: 1.5±0.1 g/cm3
Boiling Point: 776.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.1±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.01
Polar Surface Area: 164 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

Click to predict properties on the Chemicalize site


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