ChemSpider 2D Image | 3,3'-{7,12-Bis[(1R)-1-hydroxyethyl]-3,8,13,17-tetramethyl-2,18-porphyrindiyl}dipropanoic acid | C34H38N4O6

3,3'-{7,12-Bis[(1R)-1-hydroxyethyl]-3,8,13,17-tetramethyl-2,18-porphyrindiyl}dipropanoic acid

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID62424283

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

21H,23H-Porphinium, 2,18-bis(2-carboxyethyl)-7,12-bis[(1R)-1-hydroxyethyl]-3,8,13,17-tetramethyl-, bis(inner salt) [ACD/Index Name]
3,3'-{7,12-Bis[(1R)-1-hydroxyethyl]-3,8,13,17-tetramethyl-2,18-porphyrindiyl}dipropansäure [German] [ACD/IUPAC Name]
3,3'-{8,13-Bis[(1R)-1-hydroxyethyl]-3,7,12,17-tetramethylporphyrin-21,23-diium-2,18-diyl}dipropanoat [German] [ACD/IUPAC Name]
Acide 3,3'-{7,12-bis[(1R)-1-hydroxyéthyl]-3,8,13,17-tétraméthyl-2,18-porphyrinediyl}dipropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1179.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.9±3.0 kJ/mol
Flash Point: 667.3±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.95
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 172 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement