ChemSpider 2D Image | TBPT | C23H32N2O6

TBPT

  • Molecular FormulaC23H32N2O6
  • Average mass432.510 Da
  • Monoisotopic mass432.226044 Da
  • ChemSpider ID28667465

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1331782-27-4 [RN]
2H-Pyran-4-ol, tetrahydro-4-[[4-[[[4-[[(3R)-tetrahydro-3-furanyl]oxy]-1,2-benzisoxazol-3-yl]oxy]methyl]-1-piperidinyl]methyl]- [ACD/Index Name]
4-({4-[({4-[(3R)-Tetrahydro-3-furanyloxy]-1,2-benzoxazol-3-yl}oxy)methyl]-1-piperidinyl}methyl)tetrahydro-2H-pyran-4-ol [German] [ACD/IUPAC Name]
4-({4-[({4-[(3R)-Tetrahydro-3-furanyloxy]-1,2-benzoxazol-3-yl}oxy)methyl]-1-piperidinyl}methyl)tetrahydro-2H-pyran-4-ol [ACD/IUPAC Name]
4-({4-[({4-[(3R)-Tétrahydro-3-furanyloxy]-1,2-benzoxazol-3-yl}oxy)méthyl]-1-pipéridinyl}méthyl)tétrahydro-2H-pyran-4-ol [French] [ACD/IUPAC Name]
PF04995274
PF-04995274
PF-4995274
TBPT
Tetrahydro-4-[[4-[[[4-[[(3R)-tetrahydro-3-furanyl]oxy]-1,2-benzisoxazol-3-yl]oxy]methyl]-1-piperidinyl]methyl]-2H-pyran-4-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.40
Polar Surface Area: 86 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 343.5±3.0 cm3

Click to predict properties on the Chemicalize site


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