Found 20 results

Search term: C25H42O9 (Found by molecular formula)
ChemSpider 2D Image | (2S)-1-Acetoxy-3-hydroxy-2-propanyl (9alpha,11alpha,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate | C25H42O9

(2S)-1-Acetoxy-3-hydroxy-2-propanyl (9α,11α,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate

  • Molecular FormulaC25H42O9
  • Average mass486.596 Da
  • Monoisotopic mass486.282898 Da
  • ChemSpider ID117216114

  • 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

(2S)-1-Acetoxy-3-hydroxy-2-propanyl (9α,11α,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(2S)-1-Acetoxy-3-hydroxy-2-propanyl-(9α,11α,13E,15S)-9,11,15-trihydroxy-6-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-én-1-oate de (2S)-1-acétoxy-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-6-oxo-, (1S)-2-(acetyloxy)-1-(hydroxymethyl)ethyl ester, (9α,11α,13E,15S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 204.6±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.23
ACD/KOC (pH 5.5): 221.03
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.23
ACD/KOC (pH 7.4): 221.03
Polar Surface Area: 151 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 403.6±3.0 cm3

Click to predict properties on the Chemicalize site


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