ChemSpider 2D Image | (1S,5Z,7Z)-1,25-Dihydroxy-9,10-secocholesta-5,7,10-trien-3-yl N-(4-azido-2-nitrophenyl)glycinate | C35H49N5O6

(1S,5Z,7Z)-1,25-Dihydroxy-9,10-secocholesta-5,7,10-trien-3-yl N-(4-azido-2-nitrophenyl)glycinate

  • Molecular FormulaC35H49N5O6
  • Average mass635.794 Da
  • Monoisotopic mass635.368286 Da
  • ChemSpider ID4943261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,5Z,7Z)-1,25-Dihydroxy-9,10-secocholesta-5,7,10-trien-3-yl N-(4-azido-2-nitrophenyl)glycinate [ACD/IUPAC Name]
(1S,5Z,7Z)-1,25-Dihydroxy-9,10-secocholesta-5,7,10-trien-3-yl-N-(4-azido-2-nitrophenyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-(4-azido-2-nitrophenyl)-, (3S,5Z)-3-hydroxy-4-methylene-5-[(2Z)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]cyclohexyl ester [ACD/Index Name]
N-(4-Azido-2-nitrophényl)glycinate de (1S,5Z,7Z)-1,25-dihydroxy-9,10-sécocholesta-5,7,10-trién-3-yle [French] [ACD/IUPAC Name]
1,25-Dihydroxyvitamin D3-3-(N-(4-azido-2-nitrophenyl)glycinate)
98728-28-0 [RN]
Calcitriol-ang
Glycine, N-(4-azido-2-nitrophenyl)-, (1α,3β,5Z,7E)-1,25-dihydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester
N-(4-Azido-2-nitrophenyl)glycine (1α,3β,5Z,7E)-1,25-dihydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1214052.75
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1214052.75
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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