ChemSpider 2D Image | (1S,5R)-1,4-Anhydro-2,3-dideoxy-2-(diphenylphosphoryl)-1-phenyl-5-C-phenylpentitol | C29H27O3P

(1S,5R)-1,4-Anhydro-2,3-dideoxy-2-(diphenylphosphoryl)-1-phenyl-5-C-phenylpentitol

  • Molecular FormulaC29H27O3P
  • Average mass454.497 Da
  • Monoisotopic mass454.169769 Da
  • ChemSpider ID30651299

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,5R)-1,4-Anhydro-2,3-dideoxy-2-(diphenylphosphoryl)-1-phenyl-5-C-phenylpentitol [ACD/IUPAC Name]
(1S,5R)-1,4-Anhydro-2,3-didesoxy-2-(diphenylphosphoryl)-1-phenyl-5-C-phenylpentitol [German] [ACD/IUPAC Name]
(1S,5R)-1,4-Anhydro-2,3-didésoxy-2-(diphénylphosphoryl)-1-phényl-5-C-phénylpentitol [French] [ACD/IUPAC Name]
Pentitol, 1,4-anhydro-2,3-dideoxy-2-(diphenylphosphinyl)-1,5-di-C-phenyl-, (1S,5R)- [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: 615.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2033.21
ACD/KOC (pH 5.5): 8120.71
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2033.21
ACD/KOC (pH 7.4): 8120.71
Polar Surface Area: 56 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 362.9±5.0 cm3

Click to predict properties on the Chemicalize site


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