Found 40 results

Search term: MF = 'C_{40}H_{66}O_{12}'
ChemSpider 2D Image | (3beta,4alpha,5alpha,23S)-23-Hydroxy-4-methylcholesta-8,14-dien-3-yl 2-O-beta-D-galactopyranosyl-beta-D-galactopyranoside | C40H66O12

(3β,4α,5α,23S)-23-Hydroxy-4-methylcholesta-8,14-dien-3-yl 2-O-β-D-galactopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC40H66O12
  • Average mass738.945 Da
  • Monoisotopic mass738.455444 Da
  • ChemSpider ID27022979

  • defined stereocentres - 14 of 18 defined stereocentres

More details:

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

(3β,4α,5α,23S)-23-Hydroxy-4-methylcholesta-8,14-dien-3-yl 2-O-β-D-galactopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,4α,5α,23S)-23-Hydroxy-4-methylcholesta-8,14-dien-3-yl-2-O-β-D-galactopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Galactopyranosyl-β-D-galactopyranoside de (3β,4α,5α,23S)-23-hydroxy-4-méthylcholesta-8,14-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,4α,5α,23S)-23-hydroxy-4-methylcholesta-8,14-dien-3-yl 2-O-β-D-galactopyranosyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 876.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.7±6.0 kJ/mol
Flash Point: 483.9±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 193.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 956.59
ACD/KOC (pH 5.5): 4733.74
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 956.58
ACD/KOC (pH 7.4): 4733.68
Polar Surface Area: 199 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 566.0±5.0 cm3

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