ChemSpider 2D Image | Lactose 3-sulfate | C12H22O14S

Lactose 3-sulfate

  • Molecular FormulaC12H22O14S
  • Average mass422.360 Da
  • Monoisotopic mass422.073029 Da
  • ChemSpider ID44205606

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

159358-51-7 [RN]
4-O-(3-O-Sulfo-β-D-galactopyranosyl)-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(3-O-Sulfo-β-D-galactopyranosyl)-D-glucopyranose [ACD/IUPAC Name]
4-O-(3-O-Sulfo-β-D-galactopyranosyl)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-O-(3-O-sulfo-β-D-galactopyranosyl)- [ACD/Index Name]
Lactose 3-sulfate
[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
3-O-sulfo-β-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
4-O-(3-O-Sulfo-?-D-galactopyranosyl)-D-glucose
4-O-(3-O-Sulfo-b-D-galactopyranosyl)-D-glucopyranose
More...
  • Miscellaneous

    • Chemical Class:

      An oligosaccharide sulfate consisting of a 3-O-sulfo-beta-D-galactopyranose residue and a D-glucopyranose residue joined in sequence by a (1->4) glycosidic bond. ChEBI CHEBI:152485

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 122.8±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

Click to predict properties on the Chemicalize site


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