ChemSpider 2D Image | Methyl (5Z,9alpha,11alpha,13E,15S)-9,11,15,18-tetraacetoxyprosta-5,13-dien-1-oate | C29H44O10

Methyl (5Z,9α,11α,13E,15S)-9,11,15,18-tetraacetoxyprosta-5,13-dien-1-oate

  • Molecular FormulaC29H44O10
  • Average mass552.654 Da
  • Monoisotopic mass552.293457 Da
  • ChemSpider ID34981443

  • 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,9α,11α,13E,15S)-9,11,15,18-Tétraacétoxyprosta-5,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5Z,9α,11α,13E,15S)-9,11,15,18-tetraacetoxyprosta-5,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(5Z,9α,11α,13E,15S)-9,11,15,18-tetraacetoxyprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,11,15,18-tetrakis(acetyloxy)-, methyl ester, (5Z,9α,11α,13E,15S)- [ACD/Index Name]
methyl 9S,11R,15S,18-tetraacetoxy-5Z,13E-prostadienoate
sarcoehrendin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 243.9±30.2 °C
Index of Refraction: 1.498
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3000.77
ACD/KOC (pH 5.5): 10729.97
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3000.77
ACD/KOC (pH 7.4): 10729.97
Polar Surface Area: 132 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 488.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement