ChemSpider 2D Image | 4-Pregnene-11β,17α,20β,21-tetrol-3-one | C21H32O5

4-Pregnene-11β,17α,20β,21-tetrol-3-one

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID28475369
  • defined stereocentres - 8 of 8 defined stereocentres


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

(11?,20R)-11,17,20,21-tetrahydroxypregn-4-en-3-one
(11β,20R)-11,17,20,21-Tetrahydroxypregn-4-en-3-on [German] [ACD/IUPAC Name]
(11β,20R)-11,17,20,21-Tetrahydroxypregn-4-en-3-one [ACD/IUPAC Name]
(11β,20R)-11,17,20,21-Tétrahydroxyprégn-4-én-3-one [French] [ACD/IUPAC Name]
116-58-5 [RN]
4-Pregnene-11β,17α,20β,21-tetrol-3-one
4-Pregnene-11β,17α,20β,21-tetrol-3-one
Pregn-4-en-3-one, 11,17,20,21-tetrahydroxy-, (11β,20R)- [ACD/Index Name]
(11??,20R)-11,17,20,21-Tetrahydroxypregn-4-en-3-one
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

77U6C4OLOR [DBID]
UNII:77U6C4OLOR [DBID]
UNII-77U6C4OLOR [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 322.6±26.6 °C
Index of Refraction: 1.603
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 88.17
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 88.17
Polar Surface Area: 98 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 282.4±5.0 cm3

Click to predict properties on the Chemicalize site






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