ChemSpider 2D Image | 19-hydroxyprostaglandin H2 | C20H32O6

19-hydroxyprostaglandin H2

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID27471341

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-Dihydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-Dihydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptensäure [German] [ACD/IUPAC Name]
19-hydroxyprostaglandin H2
5-Heptenoic acid, 7-[(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxy-1-octén-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
(5Z,13E,15S)-9α,11α-epidioxy-15,19-dihydroxyprosta-5,13-dienoic acid
(5Z,9α,11α,13E,15S)-9,11-epidioxy-15,19-dihydroxyprosta-5,13-dien-1-oic acid

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

CHEBI:63912 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 189.0±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 41.01
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

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