ChemSpider 2D Image | Pederin | C25H45NO9

Pederin

  • Molecular FormulaC25H45NO9
  • Average mass503.626 Da
  • Monoisotopic mass503.309418 Da
  • ChemSpider ID4529295

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(2S)-N-[(S)-{(2S,4R,6R)-6-[(2S)-2,3-Dimethoxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2H-pyran-2-yl}(methoxy)methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl] acetamide [ACD/IUPAC Name]
(2S)-N-[(S)-{(2S,4R,6R)-6-[(2S)-2,3-Diméthoxypropyl]-4-hydroxy-5,5-diméthyltétrahydro-2H-pyran-2-yl}(méthoxy)méthyl]-2-hydroxy-2-[(2R,5R,6R)-2-méthoxy-5,6-diméthyl-4-méthylènetétrahydro-2H-pyran-2-yl] acétamide [French] [ACD/IUPAC Name]
(2S)-N-[(S)-{(2S,4R,6R)-6-[(2S)-2,3-Dimethoxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2H-pyran-2-yl}(methoxy)methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetamide (non-preferred name)
(2S)-N-[(S)-{(2S,4R,6R)-6-[(2S)-2,3-Dimethoxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2H-pyran-2-yl}(methoxy)methyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran-2-yl]a cetamid [German] [ACD/IUPAC Name]
27973-72-4 [RN]
B8F7J348GJ
N-[[6-(2,3-Dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-glycolamide
Paederine
Pederin [Wiki]
(+)-pederin
More...

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

NSC 114781 [DBID]
NSC114781 [DBID]
  • Miscellaneous

    • Chemical Class:

      A polyketide and carboxamide produced by a (<ital>Pseudomonas</ital>) bacterial endosymbiont of certain rove beetles (genus <ital>Paederus</ital>). Pederin is the agent responsible for the vesicant ef fects (linear or Paederus dermatitis) when the beetle is crushed against the skin. It is a powerful inhibitor of protein biosynthesis and mitosis and a potent antitumour agent. ChEBI CHEBI:78591
      A polyketide and carboxamide produced by a (Pseudomonas) bacterial endosymbiont of certain rove beetles (genus Paederus). Pederin is the agent responsible for the vesicant ef; fects (linear or Paederu s dermatitis) when the beetle is crushed against the skin. It is a powerful inhibitor of protein biosynthesis and mitosis and a potent antitumour agent. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78591
      A polyketide and carboxamide produced by a (Pseudomonas) bacterial endosymbiont of certain rove beetles (genus Paederus). Pederin is the agent responsible for the vesicant effects (linear or Paederus dermatitis) when the beetle is crushed against the skin. It is a powerful inhibitor of protein biosynthesis and mitosis and a potent antitumour agent. ChEBI CHEBI:78591

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

Density: 1.2±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 338.5±31.5 °C
Index of Refraction: 1.509
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.30
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: 125 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

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