Found 6 results

Search term: NCZRCNAAHNGILW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8alpha,9beta,10alpha,11beta,13alpha,14beta,17alpha,20R)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid | C21H30O5

(8α,9β,10α,11β,13α,14β,17α,20R)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID111313971

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(8α,9β,10α,11β,13α,14β,17α,20R)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid [ACD/IUPAC Name]
(8α,9β,10α,11β,13α,14β,17α,20R)-11,20-Dihydroxy-3-oxopregn-4-en-21-säure [German] [ACD/IUPAC Name]
Acide (8α,9β,10α,11β,13α,14β,17α,20R)-11,20-dihydroxy-3-oxoprégn-4-én-21-oïque [French] [ACD/IUPAC Name]
Pregn-4-en-21-oic acid, 11,20-dihydroxy-3-oxo-, (8α,9β,10α,11β,13α,14β,17α,20R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 318.4±26.6 °C
Index of Refraction: 1.592
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 282.2±5.0 cm3

Click to predict properties on the Chemicalize site


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