ChemSpider 2D Image | Tetrabenzyl (1S,2R,3R,4R,5R,6R)-2,4,5-tris(benzyloxy)-6-hydroxy-1,3-cyclohexanediyl bis(phosphate) | C55H56O12P2

Tetrabenzyl (1S,2R,3R,4R,5R,6R)-2,4,5-tris(benzyloxy)-6-hydroxy-1,3-cyclohexanediyl bis(phosphate)

  • Molecular FormulaC55H56O12P2
  • Average mass970.974 Da
  • Monoisotopic mass970.324707 Da
  • ChemSpider ID20575625

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Bis(phosphate) de tétrabenzyle et de (1S,2R,3R,4R,5R,6R)-2,4,5-tris(benzyloxy)-6-hydroxy-1,3-cyclohexanediyle [French] [ACD/IUPAC Name]
Phosphoric acid, (1R,2R,3S,4R,5R,6R)-4-hydroxy-2,5,6-tris(phenylmethoxy)-1,3-cyclohexanediyl tetrakis(phenylmethyl) ester [ACD/Index Name]
Tetrabenzyl (1S,2R,3R,4R,5R,6R)-2,4,5-tris(benzyloxy)-6-hydroxy-1,3-cyclohexanediyl bis(phosphate) [ACD/IUPAC Name]
Tetrabenzyl-(1S,2R,3R,4R,5R,6R)-2,4,5-tris(benzyloxy)-6-hydroxy-1,3-cyclohexandiylbis(phosphat) [German] [ACD/IUPAC 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: 971.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.2±3.0 kJ/mol
Flash Point: 541.2±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 263.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 12.74
ACD/LogD (pH 5.5): 10.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 157 Å2
Polarizability: 104.6±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 737.9±5.0 cm3

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