ChemSpider 2D Image | Methyl (5Z,8beta,9alpha,11alpha,13E,15S)-9,11,15-trihydroxy(5,6-~3~H_2_)prosta-5,13-dien-1-oate | C21H34T2O5

Methyl (5Z,8β,9α,11α,13E,15S)-9,11,15-trihydroxy(5,6-3H2)prosta-5,13-dien-1-oate

  • Molecular FormulaC21H34T2O5
  • Average mass372.524 Da
  • Monoisotopic mass372.272736 Da
  • ChemSpider ID8889691

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z,8β,9α,11α,13E,15S)-9,11,15-Trihydroxy(5,6-3H2)prosta-5,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5Z,8β,9α,11α,13E,15S)-9,11,15-trihydroxy(5,6-3H2)prosta-5,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(5Z,8β,9α,11α,13E,15S)-9,11,15-trihydroxy(5,6-3H2)prosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic-5,6-t2 acid, 9,11,15-trihydroxy-, methyl ester, (5Z,8β,9α,11α,13E,15S)- [ACD/Index Name]

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

Density:
Boiling Point: 494.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.7±6.0 kJ/mol
Flash Point: 161.9±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.55
ACD/KOC (pH 5.5): 1119.08
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.55
ACD/KOC (pH 7.4): 1119.08
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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