ChemSpider 2D Image | 15(S)-15-methyl Prostaglandin E1 | C21H36O5

15(S)-15-methyl Prostaglandin E1

  • Molecular FormulaC21H36O5
  • Average mass368.508 Da
  • Monoisotopic mass368.256287 Da
  • ChemSpider ID21467007

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(8ξ,13E,15S)-11,15-Dihydroxy-15-methyl-9-oxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(8ξ,13E,15S)-11,15-Dihydroxy-15-methyl-9-oxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
15(S)-15-methyl Prostaglandin E1
35700-26-6 [RN]
Acide (8ξ,13E,15S)-11,15-dihydroxy-15-méthyl-9-oxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11,15-dihydroxy-15-methyl-9-oxo-, (8ξ,13E,15S)- [ACD/Index Name]
9-oxo-11?,15S-dihydroxy-15-methyl-prost-13E-en-1-oic acid
9-oxo-11α,15S-dihydroxy-15-methyl-prost-13E-en-1-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 291.4±26.6 °C
Index of Refraction: 1.543
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 28.97
ACD/KOC (pH 5.5): 229.37
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.68
Polar Surface Area: 95 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 329.4±3.0 cm3

Click to predict properties on the Chemicalize site


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