ChemSpider 2D Image | 18-(2-Carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid | C34H36N4O6

18-(2-Carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID21258230

  • Double-bond stereo - Double-bond stereo

More details:

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

18-(2-Carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarbonsäure [German] [ACD/IUPAC Name]
18-(2-Carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydro-2-porphyrincarboxylic acid [ACD/IUPAC Name]
Acide 18-(2-carboxyéthyl)-20-(carboxyméthyl)-7-éthyl-3,8,13,17-tétraméthyl-12-vinyl-17,18-dihydro-2-porphyrinecarboxylique [French] [ACD/IUPAC Name]
19660-77-6 [RN]
20-(2-carboxyethyl)-2-(carboxymethyl)-14-ethenyl-9-ethyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylic acid
243-209-4 [EINECS]
744956-10-3 [RN]
chlorin e6
Chlorophyllide
MFCD08669566 [MDL number]

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

5S2CCF3T1Z [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1093.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.2±3.0 kJ/mol
Flash Point: 615.2±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.59
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: 169 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 456.7±3.0 cm3

Click to predict properties on the Chemicalize site


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