ChemSpider 2D Image | (2S,3R,4S)-2-(beta-L-Glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid | C26H32N2O9

(2S,3R,4S)-2-(β-L-Glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid

  • Molecular FormulaC26H32N2O9
  • Average mass516.540 Da
  • Monoisotopic mass516.210754 Da
  • ChemSpider ID8499712
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2S,3R,4S)-2-(β-L-Glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-5-carbonsäure [German] [ACD/IUPAC Name]
(2S,3R,4S)-2-(β-L-Glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-1-ylmethyl]-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-L-glucopyranosyloxy)-3,4-dihydro-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-, (2S,3R,4S)- [ACD/Index Name]
Acide (2S,3R,4S)-2-(β-L-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tétrahydro-1H-β-carbolin-1-ylméthyl]-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

Density: 1.5±0.1 g/cm3
Boiling Point: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 433.3±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 342.8±5.0 cm3

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