ChemSpider 2D Image | (3beta,5alpha,12alpha,13beta)-28-Methyl-6-oxo-5,6,12,13-tetrahydroveratraman-3-yl beta-D-glucopyranoside | C34H57NO7

(3β,5α,12α,13β)-28-Methyl-6-oxo-5,6,12,13-tetrahydroveratraman-3-yl β-D-glucopyranoside

  • Molecular FormulaC34H57NO7
  • Average mass591.819 Da
  • Monoisotopic mass591.413513 Da
  • ChemSpider ID19994433

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5α,12α,13β)-28-Methyl-6-oxo-5,6,12,13-tetrahydroveratraman-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,12α,13β)-28-Methyl-6-oxo-5,6,12,13-tetrahydroveratrumaman-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5H-Benzo[a]fluoren-5-one, 9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(β-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-, (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)- [ACD/Index Name]
Veratraman-6(5H)-one, 3-(β-D-glucopyranosyloxy)-12,13-dihydro-28-methyl-, (3β,5α,12α,13β)-
β-D-Glucopyranoside de (3β,5α,12α,13β)-28-méthyl-6-oxo-5,6,12,13-tétrahydrovératraman-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 381.5±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 7.39
Polar Surface Area: 120 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

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