ChemSpider 2D Image | 3-[(4Z,9Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,7,12,12,15,17-heptamethyl-3,8,15,18,19,21-hexahydrocorrin-3-yl]propanoic acid | C44H58N4O14

3-[(4Z,9Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,7,12,12,15,17-heptamethyl-3,8,15,18,19,21-hexahydrocorrin-3-yl]propanoic acid

  • Molecular FormulaC44H58N4O14
  • Average mass866.950 Da
  • Monoisotopic mass866.394958 Da
  • ChemSpider ID35034208

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1084.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.4±6.0 kJ/mol
Flash Point: 609.8±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 218.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.24
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 310 Å2
Polarizability: 86.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 597.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement