ChemSpider 2D Image | (5R)-2,3-Di-O-benzyl-5-[2-(benzyloxy)ethyl]-4-deoxy-1-C-(phenylethynyl)-beta-L-threo-pentopyranose | C36H36O5

(5R)-2,3-Di-O-benzyl-5-[2-(benzyloxy)ethyl]-4-deoxy-1-C-(phenylethynyl)-β-L-threo-pentopyranose

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID9906034

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R)-2,3-Di-O-benzyl-5-[2-(benzyloxy)ethyl]-4-deoxy-1-C-(phenylethynyl)-β-L-threo-pentopyranose [ACD/IUPAC Name]
(5R)-2,3-Di-O-benzyl-5-[2-(benzyloxy)ethyl]-4-desoxy-1-C-(phenylethinyl)-β-L-threo-pentopyranose [German] [ACD/IUPAC Name]
(5R)-2,3-Di-O-benzyl-5-[2-(benzyloxy)éthyl]-4-désoxy-1-C-(phényléthynyl)-β-L-thréo-pentopyranose [French] [ACD/IUPAC Name]
α-D-xylo-Non-1-yn-3-ulopyranose, 1,2,6,8-tetradeoxy-1-phenyl-4,5,9-tris-O-(phenylmethyl)- [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: 682.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.7±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 566728.50
ACD/KOC (pH 5.5): 456912.91
ACD/LogD (pH 7.4): 7.87
ACD/BCF (pH 7.4): 565463.00
ACD/KOC (pH 7.4): 455892.66
Polar Surface Area: 57 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 451.1±5.0 cm3

Click to predict properties on the Chemicalize site


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