ChemSpider 2D Image | (3alpha,12beta,24R,25S)-12-Hydroxy-3-[(3-methoxy-3-oxopropanoyl)oxy]-24-methyl-7,23-dioxolanost-8-en-26-oic acid | C35H52O9

(3α,12β,24R,25S)-12-Hydroxy-3-[(3-methoxy-3-oxopropanoyl)oxy]-24-methyl-7,23-dioxolanost-8-en-26-oic acid

  • Molecular FormulaC35H52O9
  • Average mass616.782 Da
  • Monoisotopic mass616.361145 Da
  • ChemSpider ID78443419

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,12β,24R,25S)-12-Hydroxy-3-[(3-methoxy-3-oxopropanoyl)oxy]-24-methyl-7,23-dioxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3α,12β,24R,25S)-12-Hydroxy-3-[(3-methoxy-3-oxopropanoyl)oxy]-24-methyl-7,23-dioxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3α,12β,24R,25S)-12-hydroxy-3-[(3-méthoxy-3-oxopropanoyl)oxy]-24-méthyl-7,23-dioxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Propanedioic acid, (3α,12β,24R,25S)-12,26-dihydroxy-24-methyl-7,23,26-trioxolanost-8-en-3-yl methyl ester [ACD/Index Name]
Officimalonic acid D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 211.5±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 474.43
ACD/KOC (pH 5.5): 1716.68
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 7.64
ACD/KOC (pH 7.4): 27.63
Polar Surface Area: 144 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 513.8±5.0 cm3

Click to predict properties on the Chemicalize site


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