ChemSpider 2D Image | (1R,3S,4R,5R,6S)-4-(alpha-D-gluco-Hexodialdo-1,5-pyranosyloxy)-5,6-dihydroxy-1,3-cyclohexanediaminium | C12H24N2O8

(1R,3S,4R,5R,6S)-4-(α-D-gluco-Hexodialdo-1,5-pyranosyloxy)-5,6-dihydroxy-1,3-cyclohexanediaminium

  • Molecular FormulaC12H24N2O8
  • Average mass324.327 Da
  • Monoisotopic mass324.152161 Da
  • ChemSpider ID28533164

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3S,4R,5R,6S)-4-(α-D-gluco-Hexodialdo-1,5-pyranosyloxy)-5,6-dihydroxy-1,3-cyclohexanediaminium [ACD/IUPAC Name]
(1R,3S,4R,5R,6S)-4-(α-D-gluco-Hexodialdo-1,5-pyranosyloxy)-5,6-dihydroxy-1,3-cyclohexanediaminium [French] [ACD/IUPAC Name]
α-D-gluco-Hexodialdo-1,5-pyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl, conjugate diacid [ACD/Index Name]
(1R,3S,4R,5R,6S)-4-(α-D-gluco-hexodialdo-1,5-pyranosyloxy)-5,6-dihydroxycyclohexane-1,3-diaminium
2'-deamino-2'-hydroxy-6'-dehydroparomamine
2'-deamino-2'-hydroxy-6'-dehydroparomamine(2+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the two amino groups of 2'-deamino-2'-hydroxy-6'-dehydroparomamine; major species at pH 7.3. ChEBI CHEBI:67214

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

Density:
Boiling Point: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -6.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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