Found 1 result

Search term: C1[C@]2([C@](C[C@H](C1)O)([C@H](C=C1[C@@H]2CC[C@]2(C1=CC[C@@H]2[C@](C)(CCCC(C)(C)O)O)C)O)O)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (3beta,5alpha,6alpha)-Cholesta-7,14-diene-3,5,6,20,25-pentol | C27H44O5

(3β,5α,6α)-Cholesta-7,14-diene-3,5,6,20,25-pentol

  • Molecular FormulaC27H44O5
  • Average mass448.635 Da
  • Monoisotopic mass448.318878 Da
  • ChemSpider ID113385091

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,6α)-Cholesta-7,14-dien-3,5,6,20,25-pentol [German] [ACD/IUPAC Name]
(3β,5α,6α)-Cholesta-7,14-diene-3,5,6,20,25-pentol [ACD/IUPAC Name]
(3β,5α,6α)-Cholesta-7,14-diène-3,5,6,20,25-pentol [French] [ACD/IUPAC Name]
Cholesta-7,14-diene-3,5,6,20,25-pentol, (3β,5α,6α)- [ACD/Index Name]
Bombycosterol
Cholesta-7,14-diene-3β,5α,6α,20,25-pentaol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 269.6±26.1 °C
Index of Refraction: 1.590
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.75
ACD/KOC (pH 5.5): 849.24
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.75
ACD/KOC (pH 7.4): 849.24
Polar Surface Area: 101 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

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