ChemSpider 2D Image | Methyl (1S,4aS,7aS)-1-(alpha-D-glucopyranosyloxy)-7-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | C27H32N2O9

Methyl (1S,4aS,7aS)-1-(α-D-glucopyranosyloxy)-7-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

  • Molecular FormulaC27H32N2O9
  • Average mass528.551 Da
  • Monoisotopic mass528.210754 Da
  • ChemSpider ID24675511

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aS,7aS)-1-(α-D-Glucopyranosyloxy)-7-[(1S)-2,3,4,9-tétrahydro-1H-β-carbolin-1-yl]-1,4a,5,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(α-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-, methyl ester, (1S,4aS,7aS)- [ACD/Index Name]
Methyl (1S,4aS,7aS)-1-(α-D-glucopyranosyloxy)-7-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,7aS)-1-(α-D-glucopyranosyloxy)-7-[(1S)-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 796.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 435.6±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 82.1±5.0 dyne/cm
Molar Volume: 346.7±5.0 cm3

Click to predict properties on the Chemicalize site


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