ChemSpider 2D Image | Methyl 2-{(2R,3E,7Z,10S,12S,13E)-12-[(3,4-dimethoxybenzyl)oxy]-10-hydroxy-2-methoxy-11,11-dimethyl-3,7,13-pentadecatrien-5-yn-1-yl}-1,3-oxazole-4-carboxylate | C32H41NO8

Methyl 2-{(2R,3E,7Z,10S,12S,13E)-12-[(3,4-dimethoxybenzyl)oxy]-10-hydroxy-2-methoxy-11,11-dimethyl-3,7,13-pentadecatrien-5-yn-1-yl}-1,3-oxazole-4-carboxylate

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID26578713

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{(2R,3E,7Z,10S,12S,13E)-12-[(3,4-Diméthoxybenzyl)oxy]-10-hydroxy-2-méthoxy-11,11-diméthyl-3,7,13-pentadécatrién-5-yn-1-yl}-1,3-oxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 2-[(2R,3E,7Z,10S,12S,13E)-12-[(3,4-dimethoxyphenyl)methoxy]-10-hydroxy-2-methoxy-11,11-dimethyl-3,7,13-pentadecatrien-5-yn-1-yl]-, methyl ester [ACD/Index Name]
Methyl 2-{(2R,3E,7Z,10S,12S,13E)-12-[(3,4-dimethoxybenzyl)oxy]-10-hydroxy-2-methoxy-11,11-dimethyl-3,7,13-pentadecatrien-5-yn-1-yl}-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-{(2R,3E,7Z,10S,12S,13E)-12-[(3,4-dimethoxybenzyl)oxy]-10-hydroxy-2-methoxy-11,11-dimethyl-3,7,13-pentadecatrien-5-in-1-yl}-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6312.82
ACD/KOC (pH 5.5): 18272.24
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6312.82
ACD/KOC (pH 7.4): 18272.24
Polar Surface Area: 109 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 501.0±3.0 cm3

Click to predict properties on the Chemicalize site


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