ChemSpider 2D Image | 1-[(4E,7Z,10Z,13Z,16Z,19Z)-19-[{[(1Z)-1-({(1Z)-1-{(2Z)-2-[{[(1Z)-1-Amino-1-hydroxy-1-propen-2-yl]amino}(hydroxy)methylene]-1-pyrrolidinyl}-5-[(diaminomethylene)amino]-1-hydroxy-1-penten-2-yl}amino)-1- hydroxy-4-methyl-1-penten-2-yl]amino}(hydroxy)methylene]-7-(4-chlorobenzyl)-2,5,8,11,14,17-hexahydroxy-16-(4-hydroxybenzyl)-13-(hydroxymethyl)-4-(2-naphthylmethyl)-10-(3-pyridinylmethyl)-3,6,9,12,15,1 8-hexaazadocosa-1,4,7,10,13,16-hexaen-22-yl]urea | C70H92ClN17O14

1-[(4E,7Z,10Z,13Z,16Z,19Z)-19-[{[(1Z)-1-({(1Z)-1-{(2Z)-2-[{[(1Z)-1-Amino-1-hydroxy-1-propen-2-yl]amino}(hydroxy)methylene]-1-pyrrolidinyl}-5-[(diaminomethylene)amino]-1-hydroxy-1-penten-2-yl}amino)-1- hydroxy-4-methyl-1-penten-2-yl]amino}(hydroxy)methylene]-7-(4-chlorobenzyl)-2,5,8,11,14,17-hexahydroxy-16-(4-hydroxybenzyl)-13-(hydroxymethyl)-4-(2-naphthylmethyl)-10-(3-pyridinylmethyl)-3,6,9,12,15,1 8-hexaazadocosa-1,4,7,10,13,16-hexaen-22-yl]urea

  • Molecular FormulaC70H92ClN17O14
  • Average mass1431.038 Da
  • Monoisotopic mass1429.669800 Da
  • ChemSpider ID95693756

More details:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 373.9±0.5 cm3
#H bond acceptors: 31
#H bond donors: 31
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -7.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 533 Å2
Polarizability: 148.2±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 1003.4±7.0 cm3

Click to predict properties on the Chemicalize site


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