Found 1 result

Search term: LPYXTAPPNYMYOP-XDBTXSBWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3alpha)-3,17,21-Trihydroxypregn-4-ene-11,20-dione | C21H30O5

(3α)-3,17,21-Trihydroxypregn-4-ene-11,20-dione

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID23196051

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α)-3,17,21-Trihydroxypregn-4-en-11,20-dion [German] [ACD/IUPAC Name]
(3α)-3,17,21-Trihydroxypregn-4-ene-11,20-dione [ACD/IUPAC Name]
(3α)-3,17,21-Trihydroxyprégn-4-ène-11,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-11,20-dione, 3,17,21-trihydroxy-, (3α)- [ACD/Index Name]
(3R,8S,9S,10R,13S,14S,17R)-3,17-Dihydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,3,6,7,8,9,10,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-11-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 308.5±26.6 °C
Index of Refraction: 1.595
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.48
ACD/KOC (pH 5.5): 199.74
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.48
ACD/KOC (pH 7.4): 199.73
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 281.4±5.0 cm3

Click to predict properties on the Chemicalize site


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