ChemSpider 2D Image | Methyl 6-deoxy-4-O-[2,6-di-O-benzyl-3,4-O-(oxomethylene)-D-glucopyranosyl]-2,3-O-isopropylidene-alpha-L-mannopyranoside | C31H38O11

Methyl 6-deoxy-4-O-[2,6-di-O-benzyl-3,4-O-(oxomethylene)-D-glucopyranosyl]-2,3-O-isopropylidene-α-L-mannopyranoside

  • Molecular FormulaC31H38O11
  • Average mass586.627 Da
  • Monoisotopic mass586.241394 Da
  • ChemSpider ID9752648

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

6-Désoxy-4-O-[2,6-di-O-benzyl-3,4-O-(oxométhylène)-D-glucopyranosyl]-2,3-O-isopropylidène-α-L-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-deoxy-4-O-[2,6-di-O-benzyl-3,4-O-(oxomethylene)-D-glucopyranosyl]-2,3-O-isopropylidene-α-L-mannopyranoside [ACD/IUPAC Name]
Methyl-6-desoxy-4-O-[2,6-di-O-benzyl-3,4-O-(oxomethylen)-D-glucopyranosyl]-2,3-O-isopropyliden-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, methyl 4-O-[3,4-O-carbonyl-2,6-bis-O-(phenylmethyl)-D-glucopyranosyl]-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: 710.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 296.6±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10516.08
ACD/KOC (pH 5.5): 26328.86
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10516.08
ACD/KOC (pH 7.4): 26328.86
Polar Surface Area: 109 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 446.9±5.0 cm3

Click to predict properties on the Chemicalize site


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