ChemSpider 2D Image | 2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl glycinate | C26H39NO10

2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl glycinate

  • Molecular FormulaC26H39NO10
  • Average mass525.589 Da
  • Monoisotopic mass525.257385 Da
  • ChemSpider ID9737903

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl glycinate [ACD/IUPAC Name]
2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethylglycinat [German] [ACD/IUPAC Name]
Glycinate de 2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acétoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-6-yl]oxy}-2-oxoéthyle [French] [ACD/IUPAC Name]
Glycine, 2-[[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl]oxy]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 16.54
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 32.11
ACD/KOC (pH 7.4): 378.75
Polar Surface Area: 172 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

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