ChemSpider 2D Image | 2-O-alpha-D-Mannopyranosyl-D-mannitol | C12H24O11

2-O-α-D-Mannopyranosyl-D-mannitol

  • Molecular FormulaC12H24O11
  • Average mass344.312 Da
  • Monoisotopic mass344.131866 Da
  • ChemSpider ID88294311

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-O-α-D-Mannopyranosyl-D-mannitol [German] [ACD/IUPAC Name]
2-O-α-D-Mannopyranosyl-D-mannitol [ACD/IUPAC Name]
2-O-α-D-Mannopyranosyl-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 2-O-α-D-mannopyranosyl- [ACD/Index Name]
(2R,3R,4S,5R)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,6-pentol
2-O-(α-D-Manp)-D-Man-OH
WURCS=2.0/2,2,1/[h1122h][a1122h-1a_1-5]/1-2/a5-b1
  • Miscellaneous

    • Chemical Class:

      A glycosyl alditol that is D-mannitol in which the hydroxy group at position 2 has been converted into the corresponding alpha-D-mannopyranoside. ChEBI CHEBI:146940

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

Density: 1.7±0.1 g/cm3
Boiling Point: 788.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.7±6.0 kJ/mol
Flash Point: 430.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.20
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 109.2±5.0 dyne/cm
Molar Volume: 203.1±5.0 cm3

Click to predict properties on the Chemicalize site


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