ChemSpider 2D Image | 2-({2-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanylidene)amino]ethyl}amino)-4,4-dihydroxy-3-butenoic acid | C10H16N2O8

2-({2-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanylidene)amino]ethyl}amino)-4,4-dihydroxy-3-butenoic acid

  • Molecular FormulaC10H16N2O8
  • Average mass292.243 Da
  • Monoisotopic mass292.090668 Da
  • ChemSpider ID95610573

More details:

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

2-({2-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanyliden)amino]ethyl}amino)-4,4-dihydroxy-3-butensäure [German] [ACD/IUPAC Name]
2-({2-[(Z)-(3-Carboxy-1,1-dihydroxy-2-propanylidene)amino]ethyl}amino)-4,4-dihydroxy-3-butenoic acid [ACD/IUPAC Name]
3-Butenoic acid, 2-[[2-[[(1Z)-1-(carboxymethyl)-2,2-dihydroxyethylidene]amino]ethyl]amino]-4,4-dihydroxy- [ACD/Index Name]
Acide 2-({2-[(Z)-(3-carboxy-1,1-dihydroxy-2-propanylidène)amino]éthyl}amino)-4,4-dihydroxy-3-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 712.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.0±6.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 181.4±7.0 cm3

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