ChemSpider 2D Image | (22E)-Cholesta-5,22-dien-3-yl 4-nitrobenzoate | C34H47NO4

(22E)-Cholesta-5,22-dien-3-yl 4-nitrobenzoate

  • Molecular FormulaC34H47NO4
  • Average mass533.741 Da
  • Monoisotopic mass533.350525 Da
  • ChemSpider ID4532576

  • Double-bond stereo - Double-bond stereo

More details:

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

(22E)-Cholesta-5,22-dien-3-yl 4-nitrobenzoate [ACD/IUPAC Name]
(22E)-Cholesta-5,22-dien-3-yl-4-nitrobenzoat [German] [ACD/IUPAC Name]
4-Nitrobenzoate de (22E)-cholesta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
Cholesta-5,22-dien-3-ol, 4-nitrobenzoate, (22E)- [ACD/Index Name]
7505-35-3 [RN]
ISOSPINASTEROL, P-NITROBENZOATE

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

NSC406371 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.0±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 192.1±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.77
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4676715.50
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4676715.50
Polar Surface Area: 72 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 475.7±5.0 cm3

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