ChemSpider 2D Image | (5E,9alpha,11alpha,13E,15S)-9,15-Dihydroxy-1-[(methylsulfonyl)amino]-1-oxoprosta-5,13-dien-11-yl pivalate | C26H45NO7S

(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1-[(methylsulfonyl)amino]-1-oxoprosta-5,13-dien-11-yl pivalate

  • Molecular FormulaC26H45NO7S
  • Average mass515.703 Da
  • Monoisotopic mass515.291687 Da
  • ChemSpider ID8294136

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1-[(methylsulfonyl)amino]-1-oxoprosta-5,13-dien-11-yl pivalate [ACD/IUPAC Name]
(5E,9α,11α,13E,15S)-9,15-Dihydroxy-1-[(methylsulfonyl)amino]-1-oxoprosta-5,13-dien-11-ylpivalat [German] [ACD/IUPAC Name]
Pivalate de (5E,9α,11α,13E,15S)-9,15-dihydroxy-1-[(méthylsulfonyl)amino]-1-oxoprosta-5,13-dién-11-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (5E,9α,11α,13E,15S)-9,15-dihydroxy-1-[(methylsulfonyl)amino]-1-oxoprosta-5,13-dien-11-yl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.528
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 34.17
ACD/KOC (pH 5.5): 243.50
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 22.10
Polar Surface Area: 138 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 446.8±5.0 cm3

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