ChemSpider 2D Image | (8beta,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxy(17,17,18,18,19,19,20,20,20-~2~H_9_)prost-13-en-1-oic acid | C20H27D9O5

(8β,9α,11α,13E,15S)-9,11,15-Trihydroxy(17,17,18,18,19,19,20,20,20-2H9)prost-13-en-1-oic acid

  • Molecular FormulaC20H27D9O5
  • Average mass365.552 Da
  • Monoisotopic mass365.312775 Da
  • ChemSpider ID29341963

  • 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

(8β,9α,11α,13E,15S)-9,11,15-Trihydroxy(17,17,18,18,19,19,20,20,20-2H9)prost-13-en-1-oic acid [ACD/IUPAC Name]
(8β,9α,11α,13E,15S)-9,11,15-Trihydroxy(17,17,18,18,19,19,20,20,20-2H9)prost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (8β,9α,11α,13E,15S)-9,11,15-trihydroxy(17,17,18,18,19,19,20,20,20-2H9)prost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic-17,17,18,18,19,19,20,20,20-d9 acid, 9,11,15-trihydroxy-, (8β,9α,11α,13E,15S)- [ACD/Index Name]
8-iso Prostaglandin F1??-d9
8-iso Prostaglandin F1?-d9
8-iso Prostaglandin F1α-d9
9?,11?,15S-trihydroxy-(8?)-prost-13E-en-1-oic-17,17,18,18,19,19,20,20,20-d9 acid
9α,11α,15S-trihydroxy-(8β)-prost-13E-en-1-oic-17,17,18,18,19,19,20,20,20-d9 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: 526.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 286.3±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 17.46
ACD/KOC (pH 5.5): 159.94
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 98 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 313.7±3.0 cm3

Click to predict properties on the Chemicalize site


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