ChemSpider 2D Image | (5xi,6R)-3,5-Dideoxy-5-[(Z)-(1-oxidanidylethylidene)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]-alpha-D-glycero-hex-2-ulopyranosonic acid | C11H18NO9

(5ξ,6R)-3,5-Dideoxy-5-[(Z)-(1-oxidanidylethylidene)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]-α-D-glycero-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H18NO9
  • Average mass308.263 Da
  • Monoisotopic mass308.098694 Da
  • ChemSpider ID30777433

  • Charge - Charge

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5ξ,6R)-3,5-Dideoxy-5-[(Z)-(1-oxidanidylethylidene)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]-α-D-glycero-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
Acide (5ξ,6R)-3,5-didésoxy-5-[(Z)-(1-oxydanidyléthylidène)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]-α-D-glycéro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
β-L-altro-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, ion(1-), (5ξ)- [ACD/Index Name]
N-[(2R,4S,6R)-6-carboxy-4,6-dihydroxy-2-[(2S)-1,2,3-trihydroxypropyl]oxan-3-yl]ethanecarboximidate
α-N-acetylneuraminate
α-Neu5Ac

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

Density:
Boiling Point: 750.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 407.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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