ChemSpider 2D Image | Methyl 4-O-(4-O-benzoyl-2,3-di-O-benzyl-6-deoxy-beta-D-mannopyranosyl)-6-deoxy-2,3-O-isopropylidene-alpha-L-mannopyranoside | C37H44O10

Methyl 4-O-(4-O-benzoyl-2,3-di-O-benzyl-6-deoxy-β-D-mannopyranosyl)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranoside

  • Molecular FormulaC37H44O10
  • Average mass648.739 Da
  • Monoisotopic mass648.293457 Da
  • ChemSpider ID9356399

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-(4-O-Benzoyl-2,3-di-O-benzyl-6-désoxy-β-D-mannopyranosyl)-6-désoxy-2,3-O-isopropylidène-α-L-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-(4-O-benzoyl-2,3-di-O-benzyl-6-deoxy-β-D-mannopyranosyl)-6-deoxy-2,3-O-isopropylidene-α-L-mannopyranoside [ACD/IUPAC Name]
Methyl-4-O-(4-O-benzoyl-2,3-di-O-benzyl-6-desoxy-β-D-mannopyranosyl)-6-desoxy-2,3-O-isopropyliden-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, methyl 4-O-[4-O-benzoyl-6-deoxy-2,3-bis-O-(phenylmethyl)-β-D-mannopyranosyl]-6-deoxy-2,3-O-(1-methylethylidene)- [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: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 288.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 173.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 7.29
ACD/BCF (pH 5.5): 203701.75
ACD/KOC (pH 5.5): 219661.50
ACD/LogD (pH 7.4): 7.29
ACD/BCF (pH 7.4): 203701.75
ACD/KOC (pH 7.4): 219661.50
Polar Surface Area: 100 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 517.8±5.0 cm3

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