ChemSpider 2D Image | Methyl (2S)-4-(3,4-dihydro-2H-beta-carbolin-1-ylmethyl)-2-(beta-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate | C27H32N2O9

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

  • Molecular FormulaC27H32N2O9
  • Average mass528.551 Da
  • Monoisotopic mass528.210754 Da
  • ChemSpider ID9618786
  • 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-ylméthyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [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-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-4-(3,4-dihydro-2H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S)-4-(3,4-dihydro-2H-β-carbolin-1-ylmethyl)-2-(β-D-glucopyranosyloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 781.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 426.1±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 344.0±7.0 cm3

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