ChemSpider 2D Image | (2S,3S,4S,5Z)-4-(2-Carboxylatoethyl)-5-[2-({3-ethyl-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-yl idene]-3-methyl-2-pyrrolidinecarboxylate | C33H38N4O6

(2S,3S,4S,5Z)-4-(2-Carboxylatoethyl)-5-[2-({3-ethyl-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-yl idene]-3-methyl-2-pyrrolidinecarboxylate

  • Molecular FormulaC33H38N4O6
  • Average mass586.679 Da
  • Monoisotopic mass586.280212 Da
  • ChemSpider ID26332329

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,3S,4S,5Z)-4-(2-Carboxylatoethyl)-5-[2-({3-ethyl-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-yl iden]-3-methyl-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,3S,4S,5Z)-4-(2-Carboxylatoethyl)-5-[2-({3-ethyl-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl}methyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-yl idene]-3-methyl-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
(2S,3S,4S,5Z)-4-(2-Carboxylatoéthyl)-5-[2-({3-éthyl-4-méthyl-5-[(4-méthyl-5-oxo-3-vinyl-2,5-dihydro-1H-pyrrol-2-yl)méthyl]-1H-pyrrol-2-yl}méthyl)-3-méthyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-yl idène]-3-méthyl-2-pyrrolidinecarboxylate [French] [ACD/IUPAC Name]
L-Proline, 4-(2-carboxyethyl)-5-[2-[[5-[(3-ethenyl-2,5-dihydro-4-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4,5-dihydro-3-methyl-4-oxocyclopenta[b]pyrrol-6(1H)-ylidene ]-3-methyl-, ion(2-), (3S,4S,5Z)- [ACD/Index Name]
(1S,2S,3S)-1-carboxylato-3-(2-carboxylatoethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-1,2,3,21-tetrahydro-5,7-ethanobilene-a-19(16H),5(2)-dione
dinoflagellate luciferin(2-)
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid dianion that results from the removal of a proton from each of the carboxylic acid groups of dinoflagellate luciferin. ChEBI CHEBI:61706

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

Density:
Boiling Point: 911.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 504.7±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement