ChemSpider 2D Image | chlorin e6 | C34H36N4O6

chlorin e6

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID16739461

  • 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

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

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

5S2CCF3T1Z [DBID]
UNII-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

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