ChemSpider 2D Image | 1,3,4-Tri-O-acetyl-6-O-benzoyl-2-O-(2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranosyl)-D-mannopyranose | C33H40O19

1,3,4-Tri-O-acetyl-6-O-benzoyl-2-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-D-mannopyranose

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID7828191

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

1,3,4-Tri-O-acetyl-6-O-benzoyl-2-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-D-mannopyranose [ACD/IUPAC Name]
1,3,4-Tri-O-acetyl-6-O-benzoyl-2-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-D-mannopyranose [German] [ACD/IUPAC Name]
1,3,4-Tri-O-acétyl-6-O-benzoyl-2-O-(2,3,4,6-tétra-O-acétyl-α-D-galactopyranosyl)-D-mannopyranose [French] [ACD/IUPAC Name]
D-Mannopyranose, 2-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-, 1,3,4-triacetate 6-benzoate [ACD/Index Name]
(2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl)-(1,2)-1,3,4-tri-O-acetyl-6-O-benzoyl-α-D-mannose

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

nchembio828-comp28 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 295.5±32.9 °C
Index of Refraction: 1.536
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.10
ACD/KOC (pH 5.5): 1369.35
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.10
ACD/KOC (pH 7.4): 1369.35
Polar Surface Area: 238 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 537.1±5.0 cm3

Click to predict properties on the Chemicalize site


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