ChemSpider 2D Image | Pseudopederin | C24H43NO9

Pseudopederin

  • Molecular FormulaC24H43NO9
  • Average mass489.599 Da
  • Monoisotopic mass489.293793 Da
  • ChemSpider ID32702052

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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-hydroxy-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-hydroxy-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-hydroxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran-2-yl]a cetamid [German] [ACD/IUPAC Name]
Pseudopederin

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

377ISO649Y [DBID]
UNII:377ISO649Y [DBID]
UNII-377ISO649Y [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.80
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: 136 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 412.0±5.0 cm3

Click to predict properties on the Chemicalize site


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