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


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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
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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

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

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

Click to predict properties on the Chemicalize site





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