ChemSpider 2D Image | (5Z,9alpha,11beta,13E,15S)-9,11,15-Trihydroxy(2,2,3,3-~2~H_4_)prosta-5,13-dien-1-oic acid | C20H30D4O5

(5Z,9α,11β,13E,15S)-9,11,15-Trihydroxy(2,2,3,3-2H4)prosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H30D4O5
  • Average mass358.506 Da
  • Monoisotopic mass358.265717 Da
  • ChemSpider ID17220791

  • 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,9α,11β,13E,15S)-9,11,15-Trihydroxy(2,2,3,3-2H4)prosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,11β,13E,15S)-9,11,15-Trihydroxy(2,2,3,3-2H4)prosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9α,11β,13E,15S)-9,11,15-trihydroxy(2,2,3,3-2H4)prosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic-2,2,3,3-d4 acid, 9,11,15-trihydroxy-, (5Z,9α,11β,13E,15S)- [ACD/Index Name]
11β-PGF2α-d4
11β-Prostaglandin F2α-d4
9S,11S,15S-trihydroxy-5Z,13E-prostadienoic acid-d4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 289.0±26.6 °C
Index of Refraction: 1.569
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 8.56
ACD/KOC (pH 5.5): 95.07
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 98 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

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