ChemSpider 2D Image | N-D-Gluconoyl-β-alanine | C9H17NO8

N-D-Gluconoyl-β-alanine

  • Molecular FormulaC9H17NO8
  • Average mass267.233 Da
  • Monoisotopic mass267.095428 Da
  • ChemSpider ID31149885

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-{[(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoyl]amino}propanoic acid [ACD/IUPAC Name]
3-{[(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoyl]amino}propansäure [German] [ACD/IUPAC Name]
94231-90-0 [RN]
Acide 3-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}propanoïque [French] [ACD/IUPAC Name]
N-D-Gluconoyl-β-alanine
N-D-Gluconoyl-β-alanine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 815.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.0±6.0 kJ/mol
Flash Point: 447.2±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.35
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


Advertisement