ChemSpider 2D Image | (5Z,9alpha,11alpha,13E,15S)-9-Hydroxy-11,15-bis(tetrahydro-2H-pyran-2-yloxy)prosta-5,13-dien-1-oic acid | C30H50O7

(5Z,9α,11α,13E,15S)-9-Hydroxy-11,15-bis(tetrahydro-2H-pyran-2-yloxy)prosta-5,13-dien-1-oic acid

  • Molecular FormulaC30H50O7
  • Average mass522.714 Da
  • Monoisotopic mass522.355652 Da
  • ChemSpider ID9170147

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5Z,9α,11α,13E,15S)-9-Hydroxy-11,15-bis(tetrahydro-2H-pyran-2-yloxy)prosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,11α,13E,15S)-9-Hydroxy-11,15-bis(tetrahydro-2H-pyran-2-yloxy)prosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
37786-09-7 [RN]
Acide (5Z,9α,11α,13E,15S)-9-hydroxy-11,15-bis(tétrahydro-2H-pyran-2-yloxy)prosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9-hydroxy-11,15-bis[(tetrahydro-2H-pyran-2-yl)oxy]-, (5Z,9α,11α,13E,15S)- [ACD/Index Name]
SCHEMBL11177889

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 206.7±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 395.04
ACD/KOC (pH 5.5): 1477.52
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 6.31
ACD/KOC (pH 7.4): 23.62
Polar Surface Area: 94 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 469.2±5.0 cm3

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