ChemSpider 2D Image | [(3aR,4S,6R,7S,7aR)-7-Acetoxy-3-acetyl-4-(ethylsulfanyl)-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-6-yl]methyl acetate | C15H21NO8S

[(3aR,4S,6R,7S,7aR)-7-Acetoxy-3-acetyl-4-(ethylsulfanyl)-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-6-yl]methyl acetate

  • Molecular FormulaC15H21NO8S
  • Average mass375.394 Da
  • Monoisotopic mass375.098785 Da
  • ChemSpider ID30658741

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(3aR,4S,6R,7S,7aR)-7-Acetoxy-3-acetyl-4-(ethylsulfanyl)-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-6-yl]methyl acetate [ACD/IUPAC Name]
[(3aR,4S,6R,7S,7aR)-7-Acetoxy-3-acetyl-4-(ethylsulfanyl)-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-6-yl]methyl-acetat [German] [ACD/IUPAC Name]
4H-Pyrano[3,4-d]oxazol-2(3H)-one, 3-acetyl-7-(acetyloxy)-6-[(acetyloxy)methyl]-4-(ethylthio)tetrahydro-, (3aR,4S,6R,7S,7aR)- [ACD/Index Name]
Acétate de [(3aR,4S,6R,7S,7aR)-7-acétoxy-3-acétyl-4-(éthylsulfanyl)-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-6-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.89
ACD/KOC (pH 5.5): 152.71
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.89
ACD/KOC (pH 7.4): 152.71
Polar Surface Area: 134 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 274.2±5.0 cm3

Click to predict properties on the Chemicalize site


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