ChemSpider 2D Image | 6-O-(6-O-Phosphono-alpha-D-mannopyranosyl)-alpha-D-mannopyranose | C12H23O14P

6-O-(6-O-Phosphono-α-D-mannopyranosyl)-α-D-mannopyranose

  • Molecular FormulaC12H23O14P
  • Average mass422.276 Da
  • Monoisotopic mass422.082550 Da
  • ChemSpider ID128434214

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-O-(6-O-Phosphono-α-D-mannopyranosyl)-α-D-mannopyranose [German] [ACD/IUPAC Name]
6-O-(6-O-Phosphono-α-D-mannopyranosyl)-α-D-mannopyranose [ACD/IUPAC Name]
6-O-(6-O-Phosphono-α-D-mannopyranosyl)-α-D-mannopyranose [French] [ACD/IUPAC Name]
α-D-Mannopyranose, 6-O-(6-O-phosphono-α-D-mannopyranosyl)- [ACD/Index Name]
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methyl dihydrogen phosphate
6-O-phosphono-α-D-manno-hexopyranosyl-(1->6)-α-D-manno-hexopyranose
missing
WURCS=2.0/2,2,1/[a1122h-1a1-5][a1122h-1a1-5_6*OPO/3O/3=O]/1-2/a6-b1
  • Miscellaneous

    • Chemical Class:

      A disaccharide phosphate consisting of a 6-O-phosphono-alpha-D-mannopyranose residue and an alpha-D-mannopyranose residue joined in sequence by a (1->6) glycosidic bond. ChEBI CHEBI:153487

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

Density: 1.9±0.1 g/cm3
Boiling Point: 777.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.0±6.0 kJ/mol
Flash Point: 424.0±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -5.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 120.4±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

Click to predict properties on the Chemicalize site


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