ChemSpider 2D Image | 2'-deamino-2'-hydroxy-6'-dehydroparomamine | C12H22N2O8

2'-deamino-2'-hydroxy-6'-dehydroparomamine

  • Molecular FormulaC12H22N2O8
  • Average mass322.312 Da
  • Monoisotopic mass322.137604 Da
  • ChemSpider ID28533168

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2R,3S,4R,6S)-4,6-Diamino-2,3-dihydroxycyclohexyl α-D-gluco-hexodialdo-1,5-pyranoside [ACD/IUPAC Name]
2'-deamino-2'-hydroxy-6'-dehydroparomamine
α-D-gluco-Hexodialdo-1,5-pyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-gluco-Hexodialdo-1,5-pyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      An amino cyclitol glycoside that is 2-deoxystreptamine in which the <ital>pro</ital>-<stereo>R</stereo> hydroxy group is substituted by a 6-dehydro-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosyl r esidue. ChEBI CHEBI:67225
      An amino cyclitol glycoside that is 2-deoxystreptamine in which the pro-R hydroxy group is substituted by a 6-dehydro-alpha-D-glucosyl r; esidue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67225
      An amino cyclitol glycoside that is 2-deoxystreptamine in which the pro-R hydroxy group is substituted by a 6-dehydro-alpha-D-glucosyl residue. ChEBI CHEBI:67225

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

Density: 1.6±0.1 g/cm3
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: 1.641
Molar Refractivity: 72.1±0.4 cm3
#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: 189 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

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