ChemSpider 2D Image | N-FRUCTOSYL VALINE | C11H21NO7

N-FRUCTOSYL VALINE

  • Molecular FormulaC11H21NO7
  • Average mass279.287 Da
  • Monoisotopic mass279.131805 Da
  • ChemSpider ID31046440

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-3-Methyl-2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}butanoic acid [ACD/IUPAC Name]
(2S)-3-Methyl-2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}butansäure [German] [ACD/IUPAC Name]
10003-64-2 [RN]
Acide (2S)-3-méthyl-2-{[(3S,4R,5R)-3,4,5,6-tétrahydroxy-2-oxohexyl]amino}butanoïque [French] [ACD/IUPAC Name]
D-Fructose, 1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-deoxy- [ACD/Index Name]
N-FRUCTOSYL VALINE
(2S)-3-methyl-2-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]butanoic acid
Fructose Valine (mixture of diastereomers)
Fructosylvaline

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

H77T9T95MQ [DBID]
UNII:H77T9T95MQ [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 202.6±3.0 cm3

Click to predict properties on the Chemicalize site


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