ChemSpider 2D Image | photobiotin | C23H36N9O4S

photobiotin

  • Molecular FormulaC23H36N9O4S
  • Average mass533.647 Da
  • Monoisotopic mass533.253296 Da
  • ChemSpider ID2299671
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[3-[[3-[(4-azido-2-nitrophenyl)amino]propyl]methylamino]propyl]hexahydro-2-oxo-, (3aS,6aR)- [ACD/Index Name]
N-{3-[{3-[(4-Azido-2-nitrophenyl)amino]propyl}(methyl)amino]propyl}-5-[(3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-{3-[{3-[(4-Azido-2-nitrophenyl)amino]propyl}(methyl)amino]propyl}-5-[(3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-{3-[{3-[(4-Azido-2-nitrophényl)amino]propyl}(méthyl)amino]propyl}-5-[(3aS,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
photobiotin
1H-Thieno(3,4-d)imidazole-4-pentanamide, N-(3-((3-((4-azido-2-nitrophenyl)amino)propyl)methylamino)propyl)hexahydro-2-oxo-, (3aS-(3aα,4β,6aα))-
96087-37-5 [RN]
N-(4-AZIDO-2-NITROPHENYL)-N'-(3-BIOTINYLAMINO-PROPYL)-N'-METHYL-1,3-PROPANEDIAMINE ACETATE SALT
N-(4-Azido-2-nitrophenyl)-N',N-biotinyl-3-aminopropyl-N'-methyl-1,3-propanediamine

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: 13
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 6.20
ACD/KOC (pH 7.4): 43.77
Polar Surface Area: 169 Å2
Polarizability:
Surface Tension:
Molar Volume:

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