ChemSpider 2D Image | 2-{(4Z)-4-{[(Z)-{1-[(E)-2-Amino-1-hydroxyvinyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}-5-[(1,1-dihydroxy-3-methyl-1-buten-2-yl)amino]-5-hydroxy-4-penten-1-yl}guanidine | C18H33N7O5

2-{(4Z)-4-{[(Z)-{1-[(E)-2-Amino-1-hydroxyvinyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}-5-[(1,1-dihydroxy-3-methyl-1-buten-2-yl)amino]-5-hydroxy-4-penten-1-yl}guanidine

  • Molecular FormulaC18H33N7O5
  • Average mass427.499 Da
  • Monoisotopic mass427.254303 Da
  • ChemSpider ID95748281

More details:

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

2-{(4Z)-4-{[(Z)-{1-[(E)-2-Amino-1-hydroxyvinyl]-2-pyrrolidinyliden}(hydroxy)methyl]amino}-5-[(1,1-dihydroxy-3-methyl-1-buten-2-yl)amino]-5-hydroxy-4-penten-1-yl}guanidin [German] [ACD/IUPAC Name]
2-{(4Z)-4-{[(Z)-{1-[(E)-2-Amino-1-hydroxyvinyl]-2-pyrrolidinylidene}(hydroxy)methyl]amino}-5-[(1,1-dihydroxy-3-methyl-1-buten-2-yl)amino]-5-hydroxy-4-penten-1-yl}guanidine [ACD/IUPAC Name]
2-{(4Z)-4-{[(Z)-{1-[(E)-2-Amino-1-hydroxyvinyl]-2-pyrrolidinylidène}(hydroxy)méthyl]amino}-5-[(1,1-dihydroxy-3-méthyl-1-butén-2-yl)amino]-5-hydroxy-4-pentén-1-yl}guanidine [French] [ACD/IUPAC Name]
Guanidine, N''-[(4Z)-4-[[(Z)-[1-[(E)-2-amino-1-hydroxyethenyl]-2-pyrrolidinylidene]hydroxymethyl]amino]-5-[[1-(dihydroxymethylene)-2-methylpropyl]amino]-5-hydroxy-4-penten-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.8±6.0 kJ/mol
Flash Point: 375.8±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.10
ACD/LogD (pH 5.5): -6.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 293.6±7.0 cm3

Click to predict properties on the Chemicalize site


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