ChemSpider 2D Image | 3,3'-{(7S,8S)-8-[2-(Dimethylamino)-2-oxoethyl]-7-ethyl-3,8,13,17-tetramethyl-7,8-dihydroporphyrin-2,18-diyl}dipropanoic acid | C36H43N5O5

3,3'-{(7S,8S)-8-[2-(Dimethylamino)-2-oxoethyl]-7-ethyl-3,8,13,17-tetramethyl-7,8-dihydroporphyrin-2,18-diyl}dipropanoic acid

  • Molecular FormulaC36H43N5O5
  • Average mass625.757 Da
  • Monoisotopic mass625.326416 Da
  • ChemSpider ID8637020

  • 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

3,3'-{(7S,8S)-8-[2-(Dimethylamino)-2-oxoethyl]-7-ethyl-3,8,13,17-tetramethyl-7,8-dihydroporphyrin-2,18-diyl}dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-{(7S,8S)-8-[2-(diméthylamino)-2-oxoéthyl]-7-éthyl-3,8,13,17-tétraméthyl-7,8-dihydroporphyrine-2,18-diyl}dipropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1038.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.1±3.0 kJ/mol
Flash Point: 582.1±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.71
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: 152 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 508.1±3.0 cm3

Click to predict properties on the Chemicalize site


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