ChemSpider 2D Image | Piericidin A | C25H37NO4

Piericidin A

  • Molecular FormulaC25H37NO4
  • Average mass415.566 Da
  • Monoisotopic mass415.272247 Da
  • ChemSpider ID23014788

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(2E,4E,7E,9S,10S,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,4,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinol [ACD/IUPAC Name]
2-[(2E,4E,7E,9S,10S,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,4,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinol [German] [ACD/IUPAC Name]
2-[(2E,4E,7E,9S,10S,11E)-10-Hydroxy-3,7,9,11-tétraméthyl-2,4,7,11-tridécatétraén-1-yl]-5,6-diméthoxy-3-méthyl-4-pyridinol [French] [ACD/IUPAC Name]
2-[(2E,4E,7E,9S,10S,11E)-10-Hydroxy-3,7,9,11-tetramethyltrideca-2,4,7,11-tetraen-1-yl]-5,6-dimethoxy-3-methylpyridin-4-ol
2738-64-9 [RN]
4-Pyridinol, 2-[(2E,4E,7E,9S,10S,11E)-10-hydroxy-3,7,9,11-tetramethyl-2,4,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl- [ACD/Index Name]
Piericidin A
2,6,9,11-Tridecatetraen-4-ol,13-(4-hydrox-5,6-dimethoxy-3-methyl-2-pyridyl)-3,5,7,11-tetramethyl-(all-E)-(4R,5R)
2-[(2E,4E,7E,9S,10S,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,4,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
4-Pyridinol,2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraenyl)-5,6-dimethoxy- [R-[R*,R*-(all-E)]]-3-methyl-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 38.41
ACD/KOC (pH 5.5): 153.68
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 48.98
ACD/KOC (pH 7.4): 195.97
Polar Surface Area: 72 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site


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