ChemSpider 2D Image | 2-{(2E,5Z,8Z,11E,14Z,17Z)-2-Amino-17-[({(1Z)-1-{[(1Z)-1-amino-1-hydroxy-3-methyl-1-buten-2-yl]amino}-5-[(diaminomethylene)amino]-1-hydroxy-1-penten-2-yl}amino)(hydroxy)methylene]-11-benzyl-3,6,9,12,15 -pentahydroxy-1-(4-hydroxyphenyl)-14-[2-(methylsulfanyl)ethyl]-4,7,10,13,16-pentaazaicosa-2,5,8,11,14-pentaen-20-yl}guanidine | C44H69N15O9S

2-{(2E,5Z,8Z,11E,14Z,17Z)-2-Amino-17-[({(1Z)-1-{[(1Z)-1-amino-1-hydroxy-3-methyl-1-buten-2-yl]amino}-5-[(diaminomethylene)amino]-1-hydroxy-1-penten-2-yl}amino)(hydroxy)methylene]-11-benzyl-3,6,9,12,15 -pentahydroxy-1-(4-hydroxyphenyl)-14-[2-(methylsulfanyl)ethyl]-4,7,10,13,16-pentaazaicosa-2,5,8,11,14-pentaen-20-yl}guanidine

  • Molecular FormulaC44H69N15O9S
  • Average mass984.179 Da
  • Monoisotopic mass983.512329 Da
  • ChemSpider ID95717443

More details:

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

2-{(2E,5Z,8Z,11E,14Z,17Z)-2-Amino-17-[({(1Z)-1-{[(1Z)-1-amino-1-hydroxy-3-methyl-1-buten-2-yl]amino}-5-[(diaminomethylen)amino]-1-hydroxy-1-penten-2-yl}amino)(hydroxy)methylen]-11-benzyl-3,6,9,12,15-p entahydroxy-1-(4-hydroxyphenyl)-14-[2-(methylsulfanyl)ethyl]-4,7,10,13,16-pentaazaicosa-2,5,8,11,14-pentaen-20-yl}guanidin [German] [ACD/IUPAC Name]
2-{(2E,5Z,8Z,11E,14Z,17Z)-2-Amino-17-[({(1Z)-1-{[(1Z)-1-amino-1-hydroxy-3-methyl-1-buten-2-yl]amino}-5-[(diaminomethylene)amino]-1-hydroxy-1-penten-2-yl}amino)(hydroxy)methylene]-11-benzyl-3,6,9,12,15 -pentahydroxy-1-(4-hydroxyphenyl)-14-[2-(methylsulfanyl)ethyl]-4,7,10,13,16-pentaazaicosa-2,5,8,11,14-pentaen-20-yl}guanidine [ACD/IUPAC Name]
2-{(2E,5Z,8Z,11E,14Z,17Z)-2-Amino-17-[({(1Z)-1-{[(1Z)-1-amino-1-hydroxy-3-méthyl-1-butén-2-yl]amino}-5-[(diaminométhylène)amino]-1-hydroxy-1-pentén-2-yl}amino)(hydroxy)méthylène]-11-benzyl-3,6,9,12,15 -pentahydroxy-1-(4-hydroxyphényl)-14-[2-(méthylsulfanyl)éthyl]-4,7,10,13,16-pentaazaicosa-2,5,8,11,14-pentaén-20-yl}guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-[(4Z,6Z,9E,12Z,15Z,18E)-19-amino-4-[[[(1Z)-1-[[[(1Z)-1-(aminohydroxymethylene)-2-methylpropyl]amino]hydroxymethylene]-4-[(diaminomethylene)amino]butyl]amino]hydroxymethylene]-6,9,12,15, 18-pentahydroxy-20-(4-hydroxyphenyl)-7-[2-(methylthio)ethyl]-10-(phenylmethyl)-5,8,11,14,17-pentaazaeicosa-6,9,12,15,18-pentaen-1-yl]- [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: 1246.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.7±3.0 kJ/mol
Flash Point: 707.9±37.1 °C
Index of Refraction: 1.657
Molar Refractivity: 254.1±0.5 cm3
#H bond acceptors: 24
#H bond donors: 28
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -4.37
ACD/LogD (pH 5.5): -9.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 472 Å2
Polarizability: 100.8±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 691.1±7.0 cm3

Click to predict properties on the Chemicalize site


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