Found 1 result

Search term: primary fluorescent chlorophyll catabolite (Found by approved synonym)
ChemSpider 2D Image | primary fluorescent chlorophyll catabolite | C35H40N4O7

primary fluorescent chlorophyll catabolite

  • Molecular FormulaC35H40N4O7
  • Average mass628.715 Da
  • Monoisotopic mass628.289673 Da
  • ChemSpider ID21865480

  • 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

3-{(2Z,3S,4S)-2-[(5R)-2-[(3-Ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-yliden]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihyd ro-1H-pyrrol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-3-yl}propansäure [German] [ACD/IUPAC Name]
3-{(2Z,3S,4S)-2-[(5R)-2-[(3-Ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihy dro-1H-pyrrol-2-yl)methyl]-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid [ACD/IUPAC Name]
Acide 3-{(2Z,3S,4S)-2-[(5R)-2-[(3-éthyl-5-formyl-4-méthyl-1H-pyrrol-2-yl)méthyl]-5-(méthoxycarbonyl)-3-méthyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidène]-4-méthyl-5-[(3-méthyl-5-oxo-4-vinyl-2, 5-dihydro-1H-pyrrol-2-yl)méthyl]-3,4-dihydro-2H-pyrrol-3-yl}propanoïque [French] [ACD/IUPAC Name]
Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[(3S,4S)-3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-3,4-dihydro-4-methyl-2H-pyrrol-2-ylidene]-2-[(3-ethyl-5-formyl-4-m ethyl-1H-pyrrol-2-yl)methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, 5-methyl ester, (5R,6Z)- [ACD/Index Name]
primary fluorescent chlorophyll catabolite
(8(2)R,12S,13S)-12-(2-carboxyethyl)-3-ethyl-1-formyl-8(2)-(methoxycarbonyl)-2,7,13,17-tetramethyl-18-vinyl-12,13-dihydro-8,10-ethanobilene-b-8(1),19(16H)-dione
3-{(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid
3-{(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid
7679417 [Beilstein]
cyclopenta[b]pyrrole-5-carboxylic acid, 6-[(3S,4S)-3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-3,4-dihydro-4-methyl-2H-pyrrol-2-ylidene]-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, 5-methyl ester, (5R,6Z)-
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of bilenes that is red chlorophyll catabolite in which a methylene group is introduced at position 1 via the reduction of a double bond. It is an intermediate of chlorophyll bre akdown in plants. ChEBI CHEBI:47951

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

Density: 1.4±0.1 g/cm3
Boiling Point: 884.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 168.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 171 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 455.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement