ChemSpider 2D Image | (2S)-3-Hydroxy-2-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl][(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}propanoic acid (non-preferred name) | C14H25NO12

(2S)-3-Hydroxy-2-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl][(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}propanoic acid (non-preferred name)

  • Molecular FormulaC14H25NO12
  • Average mass399.348 Da
  • Monoisotopic mass399.137665 Da
  • ChemSpider ID67031273
  • defined stereocentres - 8 of 10 defined stereocentres


More details:






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

(2S)-3-Hydroxy-2-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl][(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl][(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]amino}propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-3-hydroxy-2-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl][(3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]amino}propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
galactosylxylosylserine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 790.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 431.7±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 83.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 124.6±5.0 dyne/cm
Molar Volume: 220.5±5.0 cm3

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