ChemSpider 2D Image | Methyl 4-O-(4-O-acetyl-2,3-di-O-benzyl-6-deoxy-beta-L-mannopyranosyl)-2,3-di-O-benzyl-6-deoxy-1-thio-alpha-L-mannopyranoside | C43H50O9S

Methyl 4-O-(4-O-acetyl-2,3-di-O-benzyl-6-deoxy-β-L-mannopyranosyl)-2,3-di-O-benzyl-6-deoxy-1-thio-α-L-mannopyranoside

  • Molecular FormulaC43H50O9S
  • Average mass742.917 Da
  • Monoisotopic mass742.317566 Da
  • ChemSpider ID8660569

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-(4-O-Acétyl-2,3-di-O-benzyl-6-désoxy-β-L-mannopyranosyl)-2,3-di-O-benzyl-6-désoxy-1-thio-α-L-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-(4-O-acetyl-2,3-di-O-benzyl-6-deoxy-β-L-mannopyranosyl)-2,3-di-O-benzyl-6-deoxy-1-thio-α-L-mannopyranoside [ACD/IUPAC Name]
Methyl-4-O-(4-O-acetyl-2,3-di-O-benzyl-6-desoxy-β-L-mannopyranosyl)-2,3-di-O-benzyl-6-desoxy-1-thio-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, methyl 4-O-[4-O-acetyl-6-deoxy-2,3-bis-O-(phenylmethyl)-β-L-mannopyranosyl]-6-deoxy-2,3-bis-O-(phenylmethyl)-1-thio- [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: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 389.7±20.9 °C
Index of Refraction: 1.603
Molar Refractivity: 206.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 11.36
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2576984.75
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2576984.75
Polar Surface Area: 116 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 601.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement