ChemSpider 2D Image | Dimethyl (6S)-5-acetamido-3,4,5-trideoxy-4-(4-morpholinyl)-6-[(1R,2S)-1,2,3-triacetoxypropyl]-beta-D-threo-hex-2-ulopyranosidonate | C23H36N2O12

Dimethyl (6S)-5-acetamido-3,4,5-trideoxy-4-(4-morpholinyl)-6-[(1R,2S)-1,2,3-triacetoxypropyl]-β-D-threo-hex-2-ulopyranosidonate

  • Molecular FormulaC23H36N2O12
  • Average mass532.538 Da
  • Monoisotopic mass532.226807 Da
  • ChemSpider ID30658896

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-5-Acétamido-3,4,5-tridésoxy-4-(4-morpholinyl)-6-[(1R,2S)-1,2,3-triacétoxypropyl]-β-D-thréo-hex-2-ulopyranosidonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (6S)-5-acetamido-3,4,5-trideoxy-4-(4-morpholinyl)-6-[(1R,2S)-1,2,3-triacetoxypropyl]-β-D-threo-hex-2-ulopyranosidonate [ACD/IUPAC Name]
Dimethyl-(6S)-5-acetamido-3,4,5-tridesoxy-4-(4-morpholinyl)-6-[(1R,2S)-1,2,3-triacetoxypropyl]-β-D-threo-hex-2-ulopyranosidonat [German] [ACD/IUPAC Name]
L-glycero-α-L-galacto-2-Nonulopyranosidonic acid, methyl 5-(acetylamino)-3,4,5-trideoxy-4-(4-morpholinyl)-, methyl ester, 7,8,9-triacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 68.57
Polar Surface Area: 165 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 412.1±5.0 cm3

Click to predict properties on the Chemicalize site


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