ChemSpider 2D Image | (3S,5Z,7E,14xi)-3-{3-[(4-Azido-2-nitrophenyl)amino]propoxy}-9,10-secocholesta-5,7,10-trien-25-ol | C36H53N5O4

(3S,5Z,7E,14ξ)-3-{3-[(4-Azido-2-nitrophenyl)amino]propoxy}-9,10-secocholesta-5,7,10-trien-25-ol

  • Molecular FormulaC36H53N5O4
  • Average mass619.837 Da
  • Monoisotopic mass619.409729 Da
  • ChemSpider ID4943763

  • 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)-3-{3-[(4-Azido-2-nitrophenyl)amino]propoxy}-9,10-secocholesta-5,7,10-trien-25-ol [ACD/IUPAC Name]
(3S,5Z,7E,14ξ)-3-{3-[(4-Azido-2-nitrophenyl)amino]propoxy}-9,10-secocholesta-5,7,10-trien-25-ol [German] [ACD/IUPAC Name]
(3S,5Z,7E,14ξ)-3-{3-[(4-Azido-2-nitrophényl)amino]propoxy}-9,10-sécocholesta-5,7,10-trién-25-ol [French] [ACD/IUPAC Name]
1H-Indene-1-pentanol, 4-[(2Z)-2-[(5S)-5-[3-[(4-azido-2-nitrophenyl)amino]propoxy]-2-methylenecyclohexylidene]ethylidene]octahydro-α,α,ε,7a-tetramethyl-, (εR,1R,4E,7aR)- [ACD/Index Name]
(6R)-6-[(1R,4E,7Ar)-4-[(2Z)-2-[(5S)-5-[3-(4-azido-2-nitroanilino)propoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
(6R)-6-[(1R,4E,7AR)-4-{2-[(1Z,5S)-5-{3-[(4-AZIDO-2-NITROPHENYL)AMINO]PROPOXY}-2-METHYLIDENECYCLOHEXYLIDENE]ETHYLIDENE}-7A-METHYL-HEXAHYDRO-1H-INDEN-1-YL]-2-METHYLHEPTAN-2-OL
133191-08-9 [RN]
25-Ane
25-Hydroxyvitamin D3 3'-(N-(4-azido-2-nitrophenyl)amino)propyl ether
9,10-Secocholesta-5,7,10(19)-trien-25-ol, 3-(3-((4-azido-2-nitrophyenyl)amino)propoxy)-, (3β,5Z,7E)-

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: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.67
ACD/LogD (pH 5.5): 10.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 100 Å2
Polarizability:
Surface Tension:
Molar Volume:

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