ChemSpider 2D Image | Plitidepsin | C57H87N7O15

Plitidepsin

  • Molecular FormulaC57H87N7O15
  • Average mass1110.339 Da
  • Monoisotopic mass1109.625977 Da
  • ChemSpider ID24687645

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

137219-37-5 [RN]
1-Pyruvoyl-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-2-butanyl]-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrol ;o[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-N2-methyl-D-leucinamid [German] [ACD/IUPAC Name]
1-Pyruvoyl-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-2-butanyl]-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrol ;o[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-N2-methyl-D-leucinamide [ACD/IUPAC Name]
1-Pyruvoyl-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-2-butanyl]-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-méthoxybenzyl)-2,6,17-triméthyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrol ;o[2,1-f][1,15,4,7,10,20]dioxatétraazacyclotricosin-7-yl]-N2-méthyl-D-leucinamide [French] [ACD/IUPAC Name]
Aplidine [Trade name]
Dehydrodidemnin B
D-Leucinamide, 1-(1,2-dioxopropyl)-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-docosahydro-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-15-(1-methylethyl)-10-[(1S)-1-methylpropyl]-20-(2 ;-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-N2-methyl- [ACD/Index Name]
Plitidepsin [INN] [Wiki]
plitidepsina [Spanish] [INN]
plitidepsine [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A didemnin that is didemin B in which the hydroxy group of the 1-(2-hydroxypropanoyl)-<stereo>L</stereo>-prolinamide moiety has been oxidised to the corresponding ketone. It was originally isolated fr om the Mediterranean tunicate <ital>Aplidium albicans</ital>. ChEBI CHEBI:90205
      A didemnin that is didemin B in which the hydroxy group of the 1-(2-hydroxypropanoyl)-L-prolinamide moiety has been oxidised to the corresponding ketone. It was originally isolated fr; om the Mediterr anean tunicate Aplidium albicans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90205
      A didemnin that is didemin B in which the hydroxy group of the 1-(2-hydroxypropanoyl)-L-prolinamide moiety has been oxidised to the corresponding ketone. It was originally isolated from the Mediterran ean tunicate Aplidium albicans. ChEBI CHEBI:90205

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 291.0±0.4 cm3
#H bond acceptors: 22
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: -0.59
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.58
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 84.57
Polar Surface Area: 285 Å2
Polarizability: 115.3±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 890.5±5.0 cm3

Click to predict properties on the Chemicalize site


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