ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1,3-diamino-2-propanyl)-D-glucitol | C17H28N2O9

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1,3-diamino-2-propanyl)-D-glucitol

  • Molecular FormulaC17H28N2O9
  • Average mass404.412 Da
  • Monoisotopic mass404.179474 Da
  • ChemSpider ID57604895

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1,3-diamino-2-propanyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-(1,3-diamino-2-propanyl)-D-glucitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-(1,3-diamino-2-propanyl)-D-glucitol [French] [ACD/IUPAC Name]
D-erythro-L-galacto-Octitol, 1-amino-2-(aminomethyl)-3,7-anhydro-1,2-dideoxy-, 4,5,6,8-tetraacetate [ACD/Index Name]
[(2R,3R,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-(1,3-diaminopropan-2-yl)oxan-2-yl]methyl acetate
813414-13-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 161.6±23.7 °C
Index of Refraction: 1.508
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -4.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 318.9±5.0 cm3

Click to predict properties on the Chemicalize site


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