ChemSpider 2D Image | Methyl (6S)-5-ammonio-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-beta-D-erythro-hex-2-ulopyranosidonate | C10H19NO8

Methyl (6S)-5-ammonio-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosidonate

  • Molecular FormulaC10H19NO8
  • Average mass281.260 Da
  • Monoisotopic mass281.111053 Da
  • ChemSpider ID62639146

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-5-Ammonio-3,5-didésoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-érythro-hex-2-ulopyranosidonate de méthyle [French] [ACD/IUPAC Name]
Acide (6S)-5-amino-3,5-didésoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-érythro-hex-2-ulopyranosidonique de méthyle [French] [ACD/IUPAC Name]
D-glycero-α-L-talo-2-Nonulopyranosidonic acid, methyl 5-amino-3,5-dideoxy- [ACD/Index Name]
D-glycero-α-L-talo-2-Nonulopyranosidonic acid, methyl 5-ammonio-3,5-dideoxy-, inner salt [ACD/Index Name]
Methyl (6S)-5-amino-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
Methyl (6S)-5-ammonio-3,5-dideoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosidonate [ACD/IUPAC Name]
Methyl-(6S)-5-amino-3,5-didesoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
Methyl-(6S)-5-ammonio-3,5-didesoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosidonat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 61.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 86.6±5.0 dyne/cm
Molar Volume: 179.6±5.0 cm3

Click to predict properties on the Chemicalize site


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