ChemSpider 2D Image | (4E,9E,12E,15E,18Z)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-(1-hydroxyethyl)-19-{[(1E)-1-hydroxy-2-({(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]vinyl}amino)-3 -phenyl-1-propen-1-yl]amino}-4-{hydroxy[(1,1,3-trihydroxy-1-buten-2-yl)amino]methylene}-13-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-6,9,12,15,18-pentaene-6,9,12,15,18-pentol | C65H90N14O19S2

(4E,9E,12E,15E,18Z)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-(1-hydroxyethyl)-19-{[(1E)-1-hydroxy-2-({(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]vinyl}amino)-3 -phenyl-1-propen-1-yl]amino}-4-{hydroxy[(1,1,3-trihydroxy-1-buten-2-yl)amino]methylene}-13-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-6,9,12,15,18-pentaene-6,9,12,15,18-pentol

  • Molecular FormulaC65H90N14O19S2
  • Average mass1435.623 Da
  • Monoisotopic mass1434.594849 Da
  • ChemSpider ID95558773

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,9E,12E,15E,18Z)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-(1-hydroxyethyl)-19-{[(1E)-1-hydroxy-2-({(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]vinyl}amino)-3 -phenyl-1-propen-1-yl]amino}-4-{hydroxy[(1,1,3-trihydroxy-1-buten-2-yl)amino]methylen}-13-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-6,9,12,15,18-pentaen-6,9,12,15,18-pentol [German] [ACD/IUPAC Name]
(4E,9E,12E,15E,18Z)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-(1-hydroxyethyl)-19-{[(1E)-1-hydroxy-2-({(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]vinyl}amino)-3 -phenyl-1-propen-1-yl]amino}-4-{hydroxy[(1,1,3-trihydroxy-1-buten-2-yl)amino]methylene}-13-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-6,9,12,15,18-pentaene-6,9,12,15,18-pentol [ACD/IUPAC Name]
(4E,9E,12E,15E,18Z)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-(1-hydroxyéthyl)-19-{[(1E)-1-hydroxy-2-({(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyvinyl)-1,4,7,10-tétraazacyclododécan-1-yl]vinyl}amino)-3 -phényl-1-propén-1-yl]amino}-4-{hydroxy[(1,1,3-trihydroxy-1-butén-2-yl)amino]méthylène}-13-(1H-indol-3-ylméthyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-6,9,12,15,18-pentaène-6,9,12,15,18-pentol [French] [ACD/IUPAC Name]
1,2-Dithia-5,8,11,14,17-pentaazacycloeicosa-6,9,12,15,18-pentaene-6,9,12,15,18-pentol, 10-(4-aminobutyl)-4-[[[1-(dihydroxymethylene)-2-hydroxypropyl]amino]hydroxymethylene]-7-(1-hydroxyethyl)-19-[[(1E )-1-hydroxy-2-[[(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyethenyl)-1,4,7,10-tetraazacyclododec-1-yl]ethenyl]amino]-3-phenyl-1-propen-1-yl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-, (4E,9E,12E,15E,18Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1520.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 246.0±3.0 kJ/mol
Flash Point: 873.1±34.3 °C
Index of Refraction: 1.807
Molar Refractivity: 379.8±0.4 cm3
#H bond acceptors: 33
#H bond donors: 30
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 586 Å2
Polarizability: 150.6±0.5 10-24cm3
Surface Tension: 120.0±5.0 dyne/cm
Molar Volume: 882.9±5.0 cm3

Click to predict properties on the Chemicalize site


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