ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl carbonate | C35H48Cl5NO4

(3β)-Cholest-5-en-3-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl carbonate

  • Molecular FormulaC35H48Cl5NO4
  • Average mass724.025 Da
  • Monoisotopic mass721.202576 Da
  • ChemSpider ID17283754

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl carbonate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-3,5-dichlor-2-methoxy-6-(trichlormethyl)-4-pyridinylcarbonat [German] [ACD/IUPAC Name]
942149-56-6 [RN]
Carbonate de (3β)-cholest-5-én-3-yle et de 3,5-dichloro-2-méthoxy-6-(trichlorométhyl)-4-pyridinyle [French] [ACD/IUPAC Name]
Carbonic acid, (3β)-cholest-5-en-3-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl ester [ACD/Index Name]
[3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl] [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
4-DEMETHYL-4-CHOLESTERYLOXYCARBONYLPENCLOMEDINE
DM-CHOC-PEN
Mipicoledine

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

1S83F4T2WE [DBID]
UNII:1S83F4T2WE [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 14.34
ACD/LogD (pH 5.5): 12.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 58 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 562.9±5.0 cm3

Click to predict properties on the Chemicalize site


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