ChemSpider 2D Image | (17Z)-16-Acetoxy-6-[(2-ethylbutanoyl)oxy]-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid | C37H60O8

(17Z)-16-Acetoxy-6-[(2-ethylbutanoyl)oxy]-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid

  • Molecular FormulaC37H60O8
  • Average mass632.867 Da
  • Monoisotopic mass632.428833 Da
  • ChemSpider ID9938270

  • Double-bond stereo - Double-bond stereo

More details:

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

(17Z)-16-Acetoxy-6-[(2-ethylbutanoyl)oxy]-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid [ACD/IUPAC Name]
(17Z)-16-Acetoxy-6-[(2-ethylbutanoyl)oxy]-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-säure [German] [ACD/IUPAC Name]
Acide (17Z)-16-acétoxy-6-[(2-éthylbutanoyl)oxy]-3,7-dihydroxy-4,8,14-triméthyl-18-norcholest-17-én-21-oïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[(17Z)-16-(acetyloxy)-6-(2-ethyl-1-oxobutoxy)-3,7-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 203.9±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 7199.70
ACD/KOC (pH 5.5): 7862.12
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 128.26
ACD/KOC (pH 7.4): 140.06
Polar Surface Area: 130 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 551.0±5.0 cm3

Click to predict properties on the Chemicalize site


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