ChemSpider 2D Image | 2,4,6-Tri-O-benzyl-3-deoxy-N-[(3aR,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-yl]-alpha-D-ribo-hexopyranosylamine | C34H40N2O9

2,4,6-Tri-O-benzyl-3-deoxy-N-[(3aR,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-yl]-α-D-ribo-hexopyranosylamine

  • Molecular FormulaC34H40N2O9
  • Average mass620.689 Da
  • Monoisotopic mass620.273376 Da
  • ChemSpider ID8874438

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2,4,6-Tri-O-benzyl-3-deoxy-N-[(3aR,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-yl]-α-D-ribo-hexopyranosylamine [ACD/IUPAC Name]
2,4,6-Tri-O-benzyl-3-desoxy-N-[(3aR,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-2-yl]-α-D-ribo-hexopyranosylamin [German] [ACD/IUPAC Name]
2,4,6-Tri-O-benzyl-3-désoxy-N-[(3aR,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxyméthyl)-4,5,6,6a-tétrahydro-3aH-cyclopenta[d][1,3]oxazol-2-yl]-α-D-ribo-hexopyranosylamine [French] [ACD/IUPAC Name]
α-D-ribo-Hexopyranosylamine, 3-deoxy-2,4,6-tris-O-(phenylmethyl)-N-[(3aR,4R,5S,6S,6aS)-3a,5,6,6a-tetrahydro-4,5,6-trihydroxy-4-(hydroxymethyl)-4H-cyclopent[d]oxazol-2-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.2±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 38.97
ACD/KOC (pH 5.5): 312.69
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.02
ACD/KOC (pH 7.4): 1340.22
Polar Surface Area: 151 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 444.0±7.0 cm3

Click to predict properties on the Chemicalize site


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