ChemSpider 2D Image | 5,6β-DIHYDRO PGI2 | C20H34O5

5,6β-DIHYDRO PGI2

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID29341922
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(6S,9α,11α,13E,15S)-11,15-Dihydroxy-6,9-epoxyprost-13-en-1-oic acid [ACD/IUPAC Name]
(6S,9α,11α,13E,15S)-11,15-Dihydroxy-6,9-epoxyprost-13-en-1-säure [German] [ACD/IUPAC Name]
5,6β-DIHYDRO PGI2
62770-50-7 [RN]
Acide (6S,9α,11α,13E,15S)-11,15-dihydroxy-6,9-époxyprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, (6S,9α,11α,13E,15S)- [ACD/Index Name]
[62770-50-7]
5,6β-DIHYDRO PGI2
5,6β-DIHYDROPGI2
5-[(2S,3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]pentanoic acid
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 528.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 180.4±19.4 °C
Index of Refraction: 1.552
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 22.21
ACD/KOC (pH 5.5): 186.84
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.98
Polar Surface Area: 87 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement