ChemSpider 2D Image | (2E,4E)-9-Hydroxy-10-{(2R,4R,6S)-6-[(S)-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)(methoxy)methyl]-4-methoxy-3,3-dimethyltetrahydro-2H-pyra n-2-yl}-2,4-decadienoic acid | C31H51NO10

(2E,4E)-9-Hydroxy-10-{(2R,4R,6S)-6-[(S)-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)(methoxy)methyl]-4-methoxy-3,3-dimethyltetrahydro-2H-pyra n-2-yl}-2,4-decadienoic acid

  • Molecular FormulaC31H51NO10
  • Average mass597.737 Da
  • Monoisotopic mass597.351318 Da
  • ChemSpider ID9289795

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2E,4E)-9-Hydroxy-10-{(2R,4R,6S)-6-[(S)-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2H-pyran-2-yl]acetyl}amino)(methoxy)methyl]-4-methoxy-3,3-dimethyltetrahydro-2H-pyra n-2-yl}-2,4-decadienoic acid [ACD/IUPAC Name]
(2E,4E)-9-Hydroxy-10-{(2R,4R,6S)-6-[(S)-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylentetrahydro-2H-pyran-2-yl]acetyl}amino)(methoxy)methyl]-4-methoxy-3,3-dimethyltetrahydro-2H-pyran -2-yl}-2,4-decadiensäure [German] [ACD/IUPAC Name]
Acide (2E,4E)-9-hydroxy-10-{(2R,4R,6S)-6-[(S)-({(2S)-2-hydroxy-2-[(2R,5R,6R)-2-méthoxy-5,6-diméthyl-4-méthylènetétrahydro-2H-pyran-2-yl]acétyl}amino)(méthoxy)méthyl]-4-méthoxy-3,3-diméthyltétrahydro-2 H-pyran-2-yl}-2,4-décadiénoïque [French] [ACD/IUPAC Name]
onnamide F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 13.83
ACD/KOC (pH 5.5): 119.51
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 153 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 507.9±5.0 cm3

Click to predict properties on the Chemicalize site


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