ChemSpider 2D Image | ZK159222 | C32H48O5

ZK159222

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID8111858

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,5Z,7E,22E,24R)-1,3,24-Trihydroxy-26,27-cyclo-9,10-sécocholesta-5,7,10,22-tétraène-25-carboxylate de butyle [French] [ACD/IUPAC Name]
156965-15-0 [RN]
Butyl (1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-25-carboxylate [ACD/IUPAC Name]
Butyl-(1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-25-carboxylat [German] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[(1R,2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-hydroxy-2-penten-1-yl]-, butyl ester [ACD/Index Name]
ZK 159222
ZK159222
(5Z,7E,22E)-(1S,3R,24R)-25-carbobutoxy-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate
C410228
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±6.0 kJ/mol
Flash Point: 201.1±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15402.22
ACD/KOC (pH 5.5): 34598.69
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15402.22
ACD/KOC (pH 7.4): 34598.69
Polar Surface Area: 87 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 450.3±5.0 cm3

Click to predict properties on the Chemicalize site


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