ChemSpider 2D Image | Nisterime acetate | C27H35ClN2O5

Nisterime acetate

  • Molecular FormulaC27H35ClN2O5
  • Average mass503.030 Da
  • Monoisotopic mass502.223450 Da
  • ChemSpider ID8181850

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,3Z,5α,17β)-2-Chlor-3-[(4-nitrophenoxy)imino]androstan-17-yl-acetat [German] [ACD/IUPAC Name]
(2α,3Z,5α,17β)-2-Chloro-3-[(4-nitrophenoxy)imino]androstan-17-yl acetate [ACD/IUPAC Name]
7M1ALD652F
Acétate de (2α,3Z,5α,17β)-2-chloro-3-[(4-nitrophénoxy)imino]androstan-17-yle [French] [ACD/IUPAC Name]
Androstan-3-one, 17-(acetyloxy)-2-chloro-, O-(4-nitrophenyl)oxime, (2α,3Z,5α,17β)- [ACD/Index Name]
Nisterime acetate [USAN] [Wiki]
UNII:7M1ALD652F
[(2R,3Z,5S,8R,9S,10S,13S,14S,17S)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
[(2R,3Z,5S,8R,9S,10S,13S,14S,17S)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
acetic acid [(2R,3Z,5S,8R,9S,10S,13S,14S,17S)-2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ORF-9326 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.1±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41560.43
ACD/KOC (pH 5.5): 70409.99
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41560.43
ACD/KOC (pH 7.4): 70409.99
Polar Surface Area: 94 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 361.9±7.0 cm3

Click to predict properties on the Chemicalize site


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