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Search term: red chlorophyll catabolite (Found by approved synonym)

ChemSpider 2D Image | red chlorophyll catabolite | C35H38N4O7

red chlorophyll catabolite

  • Molecular FormulaC35H38N4O7
  • Average mass626.699 Da
  • Monoisotopic mass626.274048 Da
  • ChemSpider ID65322880
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

3-{(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]-5-[(Z)-(5-hydroxy-3-methyl-4-vinyl-2H-pyrrol-2-y liden)methyl]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propansäure [German] [ACD/IUPAC Name]
3-{(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]-5-[(Z)-(5-hydroxy-3-methyl-4-vinyl-2H-pyrrol-2- ylidene)methyl]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid [ACD/IUPAC Name]
Acide 3-{(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]-5-[(Z)-(5-hydroxy-3-méthyl-4-vinyl-2H-pyr rol-2-ylidène)méthyl]-4-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-[(Z)-(4-ethenyl-5-hydroxy-3-methyl-2H-pyrrol-2-ylidene)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)- [ACD/Index Name]
red chlorophyll catabolite

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

Density: 1.4±0.1 g/cm3
Boiling Point: 834.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.3±37.1 °C
Index of Refraction: 1.663
Molar Refractivity: 168.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 174 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 455.1±7.0 cm3

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