ChemSpider 2D Image | N~2~-[(E)-{1-[(Z)-(1-{5-[(Diaminomethylene)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidene)(hydroxy)methyl]-2-pyrrolidinylidene}(hydroxy)methyl]-N-{(1Z)-1-[(E)-{1-[(2Z)-2-{[(Z)-(1,1-dihydroxy-3-ph
enyl-2-propanylidene)amino](hydroxy)methylene}-1-pyrrolidinyl]-1,3-dihydroxy-2-propanylidene}amino]-1-hydroxy-3-phenyl-1-propen-2-yl}glycinamide | C44H61N11O10

N2-[(E)-{1-[(Z)-(1-{5-[(Diaminomethylene)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidene)(hydroxy)methyl]-2-pyrrolidinylidene}(hydroxy)methyl]-N-{(1Z)-1-[(E)-{1-[(2Z)-2-{[(Z)-(1,1-dihydroxy-3-ph enyl-2-propanylidene)amino](hydroxy)methylene}-1-pyrrolidinyl]-1,3-dihydroxy-2-propanylidene}amino]-1-hydroxy-3-phenyl-1-propen-2-yl}glycinamide

  • Molecular FormulaC44H61N11O10
  • Average mass904.023 Da
  • Monoisotopic mass903.460266 Da
  • ChemSpider ID95719417

More details:






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

Acetamide, 2-[[(E)-[1-[(Z)-[1-[5-[(diaminomethylene)amino]-1-hydroxy-2-iminopentyl]-2-pyrrolidinylidene]hydroxymethyl]-2-pyrrolidinylidene]hydroxymethyl]amino]-N-[(Z)-2-[[(1E)-2-[(2Z)-2-[[[(1Z)-2,2-di hydroxy-1-(phenylmethyl)ethylidene]amino]hydroxymethylene]-1-pyrrolidinyl]-2-hydroxy-1-(hydroxymethyl)ethylidene]amino]-2-hydroxy-1-(phenylmethyl)ethenyl]- [ACD/Index Name]
N2-[(E)-{1-[(Z)-(1-{5-[(Diaminomethylen)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinyliden)(hydroxy)methyl]-2-pyrrolidinyliden}(hydroxy)methyl]-N-{(1Z)-1-[(E)-{1-[(2Z)-2-{[(Z)-(1,1-dihydroxy-3-pheny l-2-propanyliden)amino](hydroxy)methylen}-1-pyrrolidinyl]-1,3-dihydroxy-2-propanyliden}amino]-1-hydroxy-3-phenyl-1-propen-2-yl}glycinamid [German] [ACD/IUPAC Name]
N2-[(E)-{1-[(Z)-(1-{5-[(Diaminomethylene)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidene)(hydroxy)methyl]-2-pyrrolidinylidene}(hydroxy)methyl]-N-{(1Z)-1-[(E)-{1-[(2Z)-2-{[(Z)-(1,1-dihydroxy-3-ph enyl-2-propanylidene)amino](hydroxy)methylene}-1-pyrrolidinyl]-1,3-dihydroxy-2-propanylidene}amino]-1-hydroxy-3-phenyl-1-propen-2-yl}glycinamide [ACD/IUPAC Name]
N2-[(E)-{1-[(Z)-(1-{5-[(Diaminométhylène)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidène)(hydroxy)méthyl]-2-pyrrolidinylidène}(hydroxy)méthyl]-N-{(1Z)-1-[(E)-{1-[(2Z)-2-{[(Z)-(1,1-dihydroxy-3-ph ényl-2-propanylidène)amino](hydroxy)méthylène}-1-pyrrolidinyl]-1,3-dihydroxy-2-propanylidène}amino]-1-hydroxy-3-phényl-1-propén-2-yl}glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 234.0±0.5 cm3
#H bond acceptors: 21
#H bond donors: 16
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 7.42
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 614.5±7.0 cm3

Click to predict properties on the Chemicalize site






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