ChemSpider 2D Image | (3beta)-20-Oxopregn-5-en-3-yl 3-iodo-2,6-dimethylbenzoate | C30H39IO3

(3β)-20-Oxopregn-5-en-3-yl 3-iodo-2,6-dimethylbenzoate

  • Molecular FormulaC30H39IO3
  • Average mass574.533 Da
  • Monoisotopic mass574.194397 Da
  • ChemSpider ID115267

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-20-Oxopregn-5-en-3-yl 3-iodo-2,6-dimethylbenzoate [ACD/IUPAC Name]
(3β)-20-Oxopregn-5-en-3-yl-3-iod-2,6-dimethylbenzoat [German] [ACD/IUPAC Name]
3-Iodo-2,6-diméthylbenzoate de (3β)-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-2,6-dimethyl-, (3β)-20-oxopregn-5-en-3-yl ester [ACD/Index Name]
Pregn-5-en-20-one, 3-((3-iodo-2,6-dimethylbenzoyl)oxy)-, (3β)-
[(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-iodo-2,6-dimethylbenzoate
124784-16-3 [RN]
P-2,6-Dib
Pregn-5-en-20-one,3-[(3-iodo-2,6-dimethylbenzoyl)oxy]-, (3b)- (9CI)
pregnenolone 2,6-dimethyl-3-iodobenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 695729.06
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 695729.06
Polar Surface Area: 43 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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