ChemSpider 2D Image | DIPYRROMETHANE COFACTOR | C20H24N2O8

DIPYRROMETHANE COFACTOR

  • Molecular FormulaC20H24N2O8
  • Average mass420.413 Da
  • Monoisotopic mass420.153259 Da
  • ChemSpider ID26330304

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Pyrrole-3-propanoic acid, 2-[[3-(2-carboxyethyl)-4-(carboxymethyl)-2H-pyrrol-5-yl]methyl]-4-(carboxymethyl)-5-methyl-, (2R)- [ACD/Index Name]
3-[5-{[(2R)-3-(2-Carboxyethyl)-4-(carboxymethyl)-5-methyl-2H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2H-pyrrol-3-yl]propanoic acid [ACD/IUPAC Name]
3-[5-{[(2R)-3-(2-Carboxyethyl)-4-(carboxymethyl)-5-methyl-2H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2H-pyrrol-3-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[5-{[(2R)-3-(2-carboxyéthyl)-4-(carboxyméthyl)-5-méthyl-2H-pyrrol-2-yl]méthyl}-4-(carboxyméthyl)-2H-pyrrol-3-yl]propanoïque [French] [ACD/IUPAC Name]
DIPYRROMETHANE COFACTOR
3-[(2R)-2-{[3-(2-carboxyethyl)-4-(carboxymethyl)-2H-pyrrol-5-yl]methyl}-4-(carboxymethyl)-5-methyl-2H-pyrrol-3-yl]propanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -4.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 284.1±7.0 cm3

Click to predict properties on the Chemicalize site


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