ChemSpider 2D Image | (5Z,9alpha,11beta,13E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oate | C21H35O5

(5Z,9α,11β,13E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oate

  • Molecular FormulaC21H35O5
  • Average mass367.500 Da
  • Monoisotopic mass367.248993 Da
  • ChemSpider ID26331509
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(5Z,9α,11β,13E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
(5Z,9α,11β,13E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oate [ACD/IUPAC Name]
(5Z,9α,11β,13E,15S)-9,11,15-Trihydroxy-15-méthylprosta-5,13-dién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, ion(1-), (5Z,9α,11β,13E,15S)- [ACD/Index Name]
(15S)-15-methyl-PGF2α anion
(15S)-15-methyl-PGF2α(1-)
(15S)-15-methylprostaglandin F2α anion
(15S)-15-methylprostaglandin F2α(1-)
15(S)-15-methyl-PGF2α anion
15(S)-15-methyl-PGF2α(1-)
More...

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

Density:
Boiling Point: 536.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 292.4±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 22.41
ACD/KOC (pH 5.5): 189.35
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

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