ChemSpider 2D Image | 4-O-(6-O-Phosphono-beta-D-galactopyranosyl)-D-glucopyranose | C12H23O14P

4-O-(6-O-Phosphono-β-D-galactopyranosyl)-D-glucopyranose

  • Molecular FormulaC12H23O14P
  • Average mass422.276 Da
  • Monoisotopic mass422.082550 Da
  • ChemSpider ID30776586

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

4-O-(6-O-Phosphono-β-D-galactopyranosyl)-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-(6-O-Phosphono-β-D-galactopyranosyl)-D-glucopyranose [ACD/IUPAC Name]
4-O-(6-O-Phosphono-β-D-galactopyranosyl)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-O-(6-O-phosphono-β-D-galactopyranosyl)- [ACD/Index Name]
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxyphosphonic acid
{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
Lactose 6-phosphate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 782.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 427.0±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: -0.50
ACD/LogD (pH 5.5): -5.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.19
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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