ChemSpider 2D Image | (2S)-3-Hydroxy-2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}propanoic acid (non-preferred name) | C9H17NO8

(2S)-3-Hydroxy-2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}propanoic acid (non-preferred name)

  • Molecular FormulaC9H17NO8
  • Average mass267.233 Da
  • Monoisotopic mass267.095428 Da
  • ChemSpider ID62903640

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-{[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino}propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-3-hydroxy-2-{[(3S,4R,5R)-3,4,5,6-tétrahydroxy-2-oxohexyl]amino}propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Fructose, 1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-deoxy- [ACD/Index Name]
34393-26-5 [RN]
N-(1-Deoxy-D-fructos-1-yl)�?L-serine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 374.6±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 93.4±3.0 dyne/cm
Molar Volume: 166.7±3.0 cm3

Click to predict properties on the Chemicalize site


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