ChemSpider 2D Image | Chlorophyllin | C34H36N4O6

Chlorophyllin

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID4586363
  • 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)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-2-carboxylic acid
(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]
(17S,18S)-18-(2-Carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18-dihydroporphyrin-2-carboxylic acid
19660-77-6 [RN]
21H,22H-Porphine-13-propanoic acid, 17-carboxy-15-(carboxymethyl)-7-ethenyl-2-ethyl-12,13-dihydro-3,8,12,18-tetramethyl-, (12S,13S)- [ACD/Index Name]
243-209-4 [EINECS]
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]
Chlorine a6
Chlorine e6
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS006251 [DBID]
AIDS-006251 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1048.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.7±3.0 kJ/mol
Flash Point: 587.8±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 163.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.73
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: 64.7±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 451.6±3.0 cm3

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