ChemSpider 2D Image | 2-[(2E,5E,7E)-10-{[(2R,3R,4S,5S,6R)-2-[(2E)-2-Buten-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-2,5,7-decatrien-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyrid
inone | C31H47NO9

2-[(2E,5E,7E)-10-{[(2R,3R,4S,5S,6R)-2-[(2E)-2-Buten-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-2,5,7-decatrien-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyrid inone

  • Molecular FormulaC31H47NO9
  • Average mass577.706 Da
  • Monoisotopic mass577.325073 Da
  • ChemSpider ID4945060
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-[(2E,5E,7E)-10-{[(2R,3R,4S,5S,6R)-2-[(2E)-2-Buten-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-2,5,7-decatrien-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyrid inon [German] [ACD/IUPAC Name]
2-[(2E,5E,7E)-10-{[(2R,3R,4S,5S,6R)-2-[(2E)-2-Buten-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-2,5,7-decatrien-1-yl]-5,6-dimethoxy-3-methyl-4(1H)-pyrid inone [ACD/IUPAC Name]
2-[(2E,5E,7E)-10-{[(2R,3R,4S,5S,6R)-2-[(2E)-2-Butén-2-yl]-3,4,5-trihydroxy-6-(hydroxyméthyl)-3,5-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3-méthyl-2,5,7-décatrién-1-yl]-5,6-diméthoxy-3-méthyl-4(1H)-pyrid inone [French] [ACD/IUPAC Name]
108073-65-0 [RN]
Glucopiericidin A
β-D-Glucopyranoside, 10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,4,8-trimethyl-1-(1-methyl-1-propenyl)-3,5,8-decatrienyl-, (R-(R*,R*(all E)))-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.48
ACD/KOC (pH 5.5): 2069.70
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 305.78
ACD/KOC (pH 7.4): 2092.28
Polar Surface Area: 147 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 476.5±5.0 cm3

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