ChemSpider 2D Image | Dimethyl 3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphyrindiyl]dipropanoate | C36H42N4O6

Dimethyl 3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphyrindiyl]dipropanoate

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID22484465

  • Double-bond stereo - Double-bond stereo

More details:

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

Dimethyl-3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphyrindiyl]dipropanoat [German] [ACD/IUPAC Name]
5594-29-6 [RN]
Dimethyl-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
Hematoporphyrin IX dimethyl ester
MFCD00050443 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1072.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.7±3.0 kJ/mol
Flash Point: 602.5±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.83
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: 150 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 501.3±3.0 cm3

Click to predict properties on the Chemicalize site


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