ChemSpider 2D Image | (3beta,7beta,20R)-3,7,20,23-Tetrahydroxy-11,15-dioxolanost-8-en-26-oic acid | C30H46O8

(3β,7β,20R)-3,7,20,23-Tetrahydroxy-11,15-dioxolanost-8-en-26-oic acid

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID78445459

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(3β,7β,20R)-3,7,20,23-Tetrahydroxy-11,15-dioxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,7β,20R)-3,7,20,23-Tetrahydroxy-11,15-dioxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7β,20R)-3,7,20,23-tétrahydroxy-11,15-dioxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7,20,23-tetrahydroxy-11,15-dioxo-, (3β,7β,20R)- [ACD/Index Name]
3β,7β,20,23ξ-Tetrahydroxy-11,15-D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 416.4±29.4 °C
Index of Refraction: 1.583
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 33.24
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 419.6±5.0 cm3

Click to predict properties on the Chemicalize site


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