ChemSpider 2D Image | (3Z)-4-[(Z)-{1,1-Dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-2-hexanylidene}amino]-2-[2-({1,1-dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-1-hexen-2-yl}amino)-2-oxoethyl]-2,4-dihydroxy-3-butenoic acid | C22H36N4O13

(3Z)-4-[(Z)-{1,1-Dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-2-hexanylidene}amino]-2-[2-({1,1-dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-1-hexen-2-yl}amino)-2-oxoethyl]-2,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC22H36N4O13
  • Average mass564.540 Da
  • Monoisotopic mass564.227905 Da
  • ChemSpider ID95558073

More details:

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

(3Z)-4-[(Z)-{1,1-Dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-2-hexanyliden}amino]-2-[2-({1,1-dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-1-hexen-2-yl}amino)-2-oxoethyl]-2,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
(3Z)-4-[(Z)-{1,1-Dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-2-hexanylidene}amino]-2-[2-({1,1-dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-1-hexen-2-yl}amino)-2-oxoethyl]-2,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
3-Butenoic acid, 2-[2-[[1-(dihydroxymethylene)-5-[hydroxy(1-hydroxyethenyl)amino]pentyl]amino]-2-oxoethyl]-4-[[(1Z)-1-(dihydroxymethyl)-5-[hydroxy(1-hydroxyethenyl)amino]pentylidene]amino]-2,4-dihydro xy-, (3Z)- [ACD/Index Name]
Acide (3Z)-4-[(Z)-{1,1-dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-2-hexanylidène}amino]-2-[2-({1,1-dihydroxy-6-[hydroxy(1-hydroxyvinyl)amino]-1-hexén-2-yl}amino)-2-oxoéthyl]-2,4-dihydroxy-3-buténoïque [French] [ACD/IUPAC 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: 1055.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.8±6.0 kJ/mol
Flash Point: 591.9±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -3.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 385.4±7.0 cm3

Click to predict properties on the Chemicalize site


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