Found 1 result

Search term: TYLRRLLZCVWGTR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,22R)-3,22-Dihydroxycholest-7-ene-4,6-diyl diacetate | C31H50O6

(3β,4β,5α,6α,22R)-3,22-Dihydroxycholest-7-ene-4,6-diyl diacetate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID8589719

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,4β,5α,6α,22R)-3,22-Dihydroxycholest-7-en-4,6-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,4β,5α,6α,22R)-3,22-Dihydroxycholest-7-ene-4,6-diyl diacetate [ACD/IUPAC Name]
Cholest-7-ene-3,4,6,22-tetrol, 4,6-diacetate, (3β,4β,5α,6α,22R)- [ACD/Index Name]
Diacétate de (3β,4β,5α,6α,22R)-3,22-dihydroxycholest-7-ène-4,6-diyle [French] [ACD/IUPAC Name]
Agosterol C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457946/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 178.9±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11661.75
ACD/KOC (pH 5.5): 28351.63
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11661.75
ACD/KOC (pH 7.4): 28351.63
Polar Surface Area: 93 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 460.5±5.0 cm3

Click to predict properties on the Chemicalize site


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