ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane | C35H62N4O4

(2β,3α,5α,16β,17β)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane

  • Molecular FormulaC35H62N4O4
  • Average mass602.890 Da
  • Monoisotopic mass602.476013 Da
  • ChemSpider ID45517
  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2β,3α,5α,16β,17β)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacétoxy-2,16-bis(4,4-diméthylpipérazin-4-ium-1-yl)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2,16-bis(4,4-dimethyl-1-piperaziniumyl)-, diacetate (ester), (2β,3α,5α,16β,17β)- [ACD/Index Name]
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
1N3O74HM92
4-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-4-(4,4-dimethylpiperazin-4-ium-1-yl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-13-yl]-1,1-dimethylpiperazin-1-ium
68399-57-5 [RN]
68399-58-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C07554 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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