ChemSpider 2D Image | 3,3'-[(2S)-3,3,7,12,17-Pentamethyl-2,3-dihydroporphyrin-2,18-diyl]dipropanoic acid | C31H34N4O4

3,3'-[(2S)-3,3,7,12,17-Pentamethyl-2,3-dihydroporphyrin-2,18-diyl]dipropanoic acid

  • Molecular FormulaC31H34N4O4
  • Average mass526.626 Da
  • Monoisotopic mass526.257996 Da
  • ChemSpider ID111239

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,3'-[(2S)-3,3,7,12,17-Pentamethyl-2,3-dihydroporphyrin-2,18-diyl]dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-[(2S)-3,3,7,12,17-pentaméthyl-2,3-dihydroporphyrine-2,18-diyl]dipropanoïque [French] [ACD/IUPAC Name]
62888-19-1 [RN]
bonellin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 973.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.6±3.0 kJ/mol
Flash Point: 542.5±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.45
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: 132 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

Click to predict properties on the Chemicalize site


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