ChemSpider 2D Image | (1Z,4Z,7Z,10Z,13E)-1,14-Diamino-5-benzyl-15-(4-hydroxyphenyl)-8,11-dimethyl-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-1,4,7,10,13-pentaene-1,4,7,10,13-pentol | C29H40N6O6S

(1Z,4Z,7Z,10Z,13E)-1,14-Diamino-5-benzyl-15-(4-hydroxyphenyl)-8,11-dimethyl-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-1,4,7,10,13-pentaene-1,4,7,10,13-pentol

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID95753582

More details:

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

(1Z,4Z,7Z,10Z,13E)-1,14-Diamino-5-benzyl-15-(4-hydroxyphenyl)-8,11-dimethyl-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-1,4,7,10,13-pentaen-1,4,7,10,13-pentol [German] [ACD/IUPAC Name]
(1Z,4Z,7Z,10Z,13E)-1,14-Diamino-5-benzyl-15-(4-hydroxyphenyl)-8,11-dimethyl-2-[2-(methylsulfanyl)ethyl]-3,6,9,12-tetraazapentadeca-1,4,7,10,13-pentaene-1,4,7,10,13-pentol [ACD/IUPAC Name]
(1Z,4Z,7Z,10Z,13E)-1,14-Diamino-5-benzyl-15-(4-hydroxyphényl)-8,11-diméthyl-2-[2-(méthylsulfanyl)éthyl]-3,6,9,12-tétraazapentadéca-1,4,7,10,13-pentaène-1,4,7,10,13-pentol [French] [ACD/IUPAC Name]
3,6,9,12-Tetraazapentadeca-1,4,7,10,13-pentaene-1,4,7,10,13-pentol, 1,14-diamino-15-(4-hydroxyphenyl)-8,11-dimethyl-2-[2-(methylthio)ethyl]-5-(phenylmethyl)-, (1Z,4Z,7Z,10Z,13E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 900.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 498.1±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.71
Polar Surface Area: 247 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 439.2±3.0 cm3

Click to predict properties on the Chemicalize site


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