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Search term: WZQINYCEPJKVHP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3alpha,7beta,15beta)-3-Hydroxycholest-5-ene-7,15,18-triyl triacetate | C33H52O7

(3α,7β,15β)-3-Hydroxycholest-5-ene-7,15,18-triyl triacetate

  • Molecular FormulaC33H52O7
  • Average mass560.762 Da
  • Monoisotopic mass560.371277 Da
  • ChemSpider ID160125

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,7β,15β)-3-Hydroxycholest-5-en-7,15,18-triyl-triacetat [German] [ACD/IUPAC Name]
(3α,7β,15β)-3-Hydroxycholest-5-ene-7,15,18-triyl triacetate [ACD/IUPAC Name]
Cholest-5-ene-3,7,15,18-tetrol, 7,15,18-triacetate, (3α,7β,15β)- [ACD/Index Name]
Triacétate de (3α,7β,15β)-3-hydroxycholest-5-ène-7,15,18-triyle [French] [ACD/IUPAC Name]
(2R,3R)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-7H-[1,4]dioxino[2,3-c]xanthen-7-one [ACD/IUPAC Name]
110025-80-4 [RN]
Cholest-5-ene-3α,7β,15β,18-tetrol-7,15,18-triacetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 181.7±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.61
ACD/BCF (pH 5.5): 62402.54
ACD/KOC (pH 5.5): 94186.16
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 62402.54
ACD/KOC (pH 7.4): 94186.16
Polar Surface Area: 99 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 497.5±5.0 cm3

Click to predict properties on the Chemicalize site


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