ChemSpider 2D Image | (4Z,7Z,10Z,13E)-14,18-Diamino-5-(4-aminobutyl)-8,11-bis(1-hydroxyethyl)-2-(hydroxymethyl)-3,6,9,12-tetraazaoctadeca-1,4,7,10,13-pentaene-1,1,4,7,10,13-hexol | C23H45N7O9

(4Z,7Z,10Z,13E)-14,18-Diamino-5-(4-aminobutyl)-8,11-bis(1-hydroxyethyl)-2-(hydroxymethyl)-3,6,9,12-tetraazaoctadeca-1,4,7,10,13-pentaene-1,1,4,7,10,13-hexol

  • Molecular FormulaC23H45N7O9
  • Average mass563.645 Da
  • Monoisotopic mass563.327881 Da
  • ChemSpider ID95695016

More details:

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

(4Z,7Z,10Z,13E)-14,18-Diamino-5-(4-aminobutyl)-8,11-bis(1-hydroxyethyl)-2-(hydroxymethyl)-3,6,9,12-tetraazaoctadeca-1,4,7,10,13-pentaen-1,1,4,7,10,13-hexol [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13E)-14,18-Diamino-5-(4-aminobutyl)-8,11-bis(1-hydroxyethyl)-2-(hydroxymethyl)-3,6,9,12-tetraazaoctadeca-1,4,7,10,13-pentaene-1,1,4,7,10,13-hexol [ACD/IUPAC Name]
(4Z,7Z,10Z,13E)-14,18-Diamino-5-(4-aminobutyl)-8,11-bis(1-hydroxyéthyl)-2-(hydroxyméthyl)-3,6,9,12-tétraazaoctadéca-1,4,7,10,13-pentaène-1,1,4,7,10,13-hexol [French] [ACD/IUPAC Name]
3,6,9,12-Tetraazaoctadeca-1,4,7,10,13-pentaene-1,1,4,7,10,13-hexol, 14,18-diamino-5-(4-aminobutyl)-8,11-bis(1-hydroxyethyl)-2-(hydroxymethyl)-, (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: 977.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.4±6.0 kJ/mol
Flash Point: 544.9±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 19
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -9.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

Click to predict properties on the Chemicalize site


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