ChemSpider 2D Image | (3S,5Z,7E,14xi)-25-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl N-(4-azido-2-nitrophenyl)glycinate | C35H49N5O5

(3S,5Z,7E,14ξ)-25-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl N-(4-azido-2-nitrophenyl)glycinate

  • Molecular FormulaC35H49N5O5
  • Average mass619.794 Da
  • Monoisotopic mass619.373352 Da
  • ChemSpider ID4944306
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(3S,5Z,7E,14ξ)-25-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl N-(4-azido-2-nitrophenyl)glycinate [ACD/IUPAC Name]
(3S,5Z,7E,14ξ)-25-Hydroxy-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)-, (1S,3Z)-4-methylene-3-[(2E)-2-[(1R,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 (3S,5Z,7E,14ξ)-25-hydroxy-9,10-sécocholesta-5,7,10-trién-3-yle [French] [ACD/IUPAC Name]
101396-04-7 [RN]
25-Hydroxyvitamin D3 3-(N-(4-azido-2-nitrophenyl)glycinate)
Calcifediol-3-anpg
Glycine, N-(4-azido-2-nitrophenyl)-, (3β,5Z,7E)-25-hydroxy-9,10-secocholesta-5,7,10(19)-trien-3-yl ester

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: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 11.10
ACD/LogD (pH 5.5): 10.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7653895.50
ACD/LogD (pH 7.4): 10.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7653895.50
Polar Surface Area: 117 Å2
Polarizability:
Surface Tension:
Molar Volume:

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