ChemSpider 2D Image | (2R,4R,5R,6S)-3'-Oxo-3,3',4,4',5,6-hexahydrospiro[pyran-2,2'-pyrido[3,2-b][1,4]oxazine]-4,5,6-triyl triacetate | C17H18N2O9

(2R,4R,5R,6S)-3'-Oxo-3,3',4,4',5,6-hexahydrospiro[pyran-2,2'-pyrido[3,2-b][1,4]oxazine]-4,5,6-triyl triacetate

  • Molecular FormulaC17H18N2O9
  • Average mass394.333 Da
  • Monoisotopic mass394.101227 Da
  • ChemSpider ID73978075

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,4R,5R,6S)-3'-Oxo-3,3',4,4',5,6-hexahydrospiro[pyran-2,2'-pyrido[3,2-b][1,4]oxazine]-4,5,6-triyl triacetate [ACD/IUPAC Name]
Spiro[2H-pyran-2,2'-[2H]pyrido[3,2-b][1,4]oxazin]-3'(4'H)-one, 4,5,6-tris(acetyloxy)-3,4,5,6-tetrahydro-, (2R,4R,5R,6S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.58
ACD/KOC (pH 5.5): 213.10
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.58
ACD/KOC (pH 7.4): 213.21
Polar Surface Area: 139 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 269.6±5.0 cm3

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