ChemSpider 2D Image | 4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE | C21H26O11

4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-α-D-MANNOPYRANOSIDE

  • Molecular FormulaC21H26O11
  • Average mass454.424 Da
  • Monoisotopic mass454.147522 Da
  • ChemSpider ID24589169

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5S,6R)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
17042-40-9 [RN]
2,3,4,6-Tétra-O-acétyl-α-D-mannopyranoside de 4-méthoxyphényle [French] [ACD/IUPAC Name]
4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-α-D-MANNOPYRANOSIDE [ACD/IUPAC Name]
4-Methoxyphenyl-2,3,4,6-tetra-O-acetyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
MFCD08276398 [MDL number]
α-D-Mannopyranoside, 4-methoxyphenyl, tetraacetate [ACD/Index Name]
[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
1256360-39-0 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 525.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 225.7±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.12
ACD/KOC (pH 5.5): 471.44
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.12
ACD/KOC (pH 7.4): 471.44
Polar Surface Area: 133 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 349.2±5.0 cm3

Click to predict properties on the Chemicalize site


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