ChemSpider 2D Image | 1-[(Z)-(1-{5-[(Diaminomethylene)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidene)(hydroxy)methyl]-N-{(Z)-2-[(Z)-(1-{[(1Z)-1-{2-[(1,1-dihydroxy-3-phenyl-1-propen-2-yl)carbamoyl]-1-pyrrolidinyl}-1,3-
dihydroxy-1-propen-2-yl]amino}-1-hydroxy-3-phenyl-2-propanylidene)amino]-2-hydroxyvinyl}-2-pyrrolidinecarboxamide (non-preferred name) | C44H61N11O10

1-[(Z)-(1-{5-[(Diaminomethylene)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidene)(hydroxy)methyl]-N-{(Z)-2-[(Z)-(1-{[(1Z)-1-{2-[(1,1-dihydroxy-3-phenyl-1-propen-2-yl)carbamoyl]-1-pyrrolidinyl}-1,3- dihydroxy-1-propen-2-yl]amino}-1-hydroxy-3-phenyl-2-propanylidene)amino]-2-hydroxyvinyl}-2-pyrrolidinecarboxamide (non-preferred name)

  • Molecular FormulaC44H61N11O10
  • Average mass904.023 Da
  • Monoisotopic mass903.460266 Da
  • ChemSpider ID95641412

More details:






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

1-[(Z)-(1-{5-[(Diaminomethylen)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinyliden)(hydroxy)methyl]-N-{(Z)-2-[(Z)-(1-{[(1Z)-1-{2-[(1,1-dihydroxy-3-phenyl-1-propen-2-yl)carbamoyl]-1-pyrrolidinyl}-1,3-di hydroxy-1-propen-2-yl]amino}-1-hydroxy-3-phenyl-2-propanyliden)amino]-2-hydroxyvinyl}-2-pyrrolidincarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
1-[(Z)-(1-{5-[(Diaminomethylene)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidene)(hydroxy)methyl]-N-{(Z)-2-[(Z)-(1-{[(1Z)-1-{2-[(1,1-dihydroxy-3-phenyl-1-propen-2-yl)carbamoyl]-1-pyrrolidinyl}-1,3- dihydroxy-1-propen-2-yl]amino}-1-hydroxy-3-phenyl-2-propanylidene)amino]-2-hydroxyvinyl}-2-pyrrolidinecarboxamide (non-preferred name) [ACD/IUPAC Name]
1-[(Z)-(1-{5-[(Diaminométhylène)amino]-1-hydroxy-2-iminopentyl}-2-pyrrolidinylidène)(hydroxy)méthyl]-N-{(Z)-2-[(Z)-(1-{[(1Z)-1-{2-[(1,1-dihydroxy-3-phényl-1-propén-2-yl)carbamoyl]-1-pyrrolidinyl}-1,3- dihydroxy-1-propén-2-yl]amino}-1-hydroxy-3-phényl-2-propanylidène)amino]-2-hydroxyvinyl}-2-pyrrolidinecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(Z)-[1-[5-[(diaminomethylene)amino]-1-hydroxy-2-iminopentyl]-2-pyrrolidinylidene]hydroxymethyl]-N-[(Z)-2-[[(1Z)-2-[[(Z)-2-[2-[[[2,2-dihydroxy-1-(phenylmethyl)ethenyl]amino ]carbonyl]-1-pyrrolidinyl]-2-hydroxy-1-(hydroxymethyl)ethenyl]amino]-2-hydroxy-1-(phenylmethyl)ethylidene]amino]-2-hydroxyethenyl]- [ACD/Index 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: 8.72
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 342 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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