ChemSpider 2D Image | (2S)-4-(3,4-Dihydro-2H-beta-carbolin-1-ylmethyl)-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid | C26H30N2O9

(2S)-4-(3,4-Dihydro-2H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid

  • Molecular FormulaC26H30N2O9
  • Average mass514.524 Da
  • Monoisotopic mass514.195129 Da
  • ChemSpider ID9481829

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2S)-4-(3,4-Dihydro-2H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonsäure [German] [ACD/IUPAC Name]
(2S)-4-(3,4-Dihydro-2H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 4-[(3,4-dihydro-2H-pyrido[3,4-b]indol-1-yl)methyl]-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S)- [ACD/Index Name]
Acide (2S)-4-(3,4-dihydro-2H-β-carbolin-1-ylméthyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 812.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.5±6.0 kJ/mol
Flash Point: 445.4±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 319.7±7.0 cm3

Click to predict properties on the Chemicalize site


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