ChemSpider 2D Image | 3-amino-2,3-dideoxy-scyllo-inosose | C6H11NO4

3-amino-2,3-dideoxy-scyllo-inosose

  • Molecular FormulaC6H11NO4
  • Average mass161.156 Da
  • Monoisotopic mass161.068802 Da
  • ChemSpider ID28184750

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5S)-5-Amino-2,3,4-trihydroxycyclohexanon [German] [ACD/IUPAC Name]
(2R,3S,4R,5S)-5-Amino-2,3,4-trihydroxycyclohexanone [ACD/IUPAC Name]
(2R,3S,4R,5S)-5-Amino-2,3,4-trihydroxycyclohexanone [French] [ACD/IUPAC Name]
3-amino-2,3-dideoxy-scyllo-inosose
Cyclohexanone, 5-amino-2,3,4-trihydroxy-, (2R,3S,4R,5S)- [ACD/Index Name]
(2S,3R,4S,5R)-5-amino-2,3,4-trihydroxycyclohexanone
2-Deoxy-3-keto-scyllo-inosamine
852328-48-4 [RN]
  • Miscellaneous

    • Chemical Class:

      A trihydroxycyclohexanone that is cyclohexanone having three hydroxy groups located at positions 2, 3 and 4 as well as an amino group at position 5 (the 2<stereo>S</stereo>,3<stereo>R</stereo>,4<stere o>S</stereo>,5<stereo>R</stereo>-diastereomer). ChEBI CHEBI:65027
      A trihydroxycyclohexanone that is cyclohexanone having three hydroxy groups located at positions 2, 3 and 4 as well as an amino group at position 5 (the 2S,3R,4S,5R-diastereomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65027, CHEBI:65027

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

Density: 1.6±0.1 g/cm3
Boiling Point: 341.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 160.2±27.9 °C
Index of Refraction: 1.630
Molar Refractivity: 36.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -4.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 97.0±3.0 dyne/cm
Molar Volume: 101.5±3.0 cm3

Click to predict properties on the Chemicalize site


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