ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16alpha,20Z)-20-[(2,4-Dinitrophenyl)hydrazono]-16-(nitromethyl)pregn-5-en-3-ol | C28H37N5O7

(3β,8ξ,9ξ,14ξ,16α,20Z)-20-[(2,4-Dinitrophenyl)hydrazono]-16-(nitromethyl)pregn-5-en-3-ol

  • Molecular FormulaC28H37N5O7
  • Average mass555.623 Da
  • Monoisotopic mass555.269287 Da
  • ChemSpider ID7874232
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres


More details:






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

(3β,8ξ,9ξ,14ξ,16α,20Z)-20-[(2,4-Dinitrophenyl)hydrazono]-16-(nitromethyl)pregn-5-en-3-ol [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16α,20Z)-20-[(2,4-Dinitrophenyl)hydrazono]-16-(nitromethyl)pregn-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16α,20Z)-20-[(2,4-Dinitrophényl)hydrazono]-16-(nitrométhyl)prégn-5-én-3-ol [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-hydroxy-16-(nitromethyl)-, 2-(2,4-dinitrophenyl)hydrazone, (3β,8ξ,9ξ,14ξ,16α,20Z)- [ACD/Index Name]
(3β,8ξ,9ξ,14ξ,16α,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)pregn-5-en-3-ol
(5S,14S,15S,2R,13R)-14-{(1Z)-2-[(2,4-dinitrophenyl)amino]-1-methyl-2-azavinyl}-2,15-dimethyl-13-(nitromethyl)tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol
3-hydroxy-16-{nitromethyl}pregn-5-en-20-one {2,4-bisnitrophenyl}hydrazone

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

A1560/0067968 [DBID]
AG-205/37007068 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 702.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±35.7 °C
Index of Refraction: 1.700
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49459.82
ACD/KOC (pH 5.5): 79677.06
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 40455.00
ACD/KOC (pH 7.4): 65170.80
Polar Surface Area: 182 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 370.9±7.0 cm3

Click to predict properties on the Chemicalize site






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