ChemSpider 2D Image | Methyl (3beta,7beta,15alpha,25R)-3,7,15-trihydroxy-11,23-dioxolanost-8-en-26-oate | C31H48O7

Methyl (3β,7β,15α,25R)-3,7,15-trihydroxy-11,23-dioxolanost-8-en-26-oate

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID28486058

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,7β,15α,25R)-3,7,15-Trihydroxy-11,23-dioxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7,15-trihydroxy-11,23-dioxo-, methyl ester, (3β,7β,15α,25R)- [ACD/Index Name]
Methyl (3β,7β,15α,25R)-3,7,15-trihydroxy-11,23-dioxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,7β,15α,25R)-3,7,15-trihydroxy-11,23-dioxolanost-8-en-26-oat [German] [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: 663.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 207.3±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.02
ACD/KOC (pH 5.5): 1727.88
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.02
ACD/KOC (pH 7.4): 1727.88
Polar Surface Area: 121 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 447.4±5.0 cm3

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