ChemSpider 2D Image | (4aS,10bS)-4-[(1,1-~2~H_2_)Propyl](3,3-~2~H_2_)-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol | C14H15D4NO3

(4aS,10bS)-4-[(1,1-2H2)Propyl](3,3-2H2)-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol

  • Molecular FormulaC14H15D4NO3
  • Average mass253.330 Da
  • Monoisotopic mass253.161606 Da
  • ChemSpider ID58785217

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4aS,10bS)-4-[(1,1-2H2)Propyl](3,3-2H2)-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol [German] [ACD/IUPAC Name]
(4aS,10bS)-4-[(1,1-2H2)Propyl](3,3-2H2)-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol [ACD/IUPAC Name]
(4aS,10bS)-4-[(1,1-2H2)Propyl](3,3-2H2)-3,4,4a,10b-tétrahydro-2H,5H-chroméno[4,3-b][1,4]oxazin-9-ol [French] [ACD/IUPAC Name]
2H,5H-[1]Benzopyrano[4,3-b]-1,4-oxazin-3-d-9-ol, 3,4,4a,10b-tetrahydro-3-d-4-(propyl-1,1-d2)-, (4aS,10bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 189.0±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.35
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 16.61
ACD/KOC (pH 7.4): 242.07
Polar Surface Area: 42 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 213.9±3.0 cm3

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