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Search term: DATA_SOURCE in ('Bradley Lab')
ChemSpider 2D Image | neo-Inosamine-2 | C6H13NO5

neo-Inosamine-2

  • Molecular FormulaC6H13NO5
  • Average mass179.171 Da
  • Monoisotopic mass179.079376 Da
  • ChemSpider ID29766252

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3s,4R,5S,6r)-6-Amino-1,2,3,4,5-cyclohexanepentol [ACD/IUPAC Name]
(1R,2S,3s,4R,5S,6r)-6-Amino-1,2,3,4,5-cyclohexanepentol [French] [ACD/IUPAC Name]
(1R,2S,3s,4R,5S,6r)-6-Amino-1,2,3,4,5-cyclohexanpentol [German] [ACD/IUPAC Name]
1,2,3,4,5-Cyclohexanepentol, 6-amino-, (1α,2β,3β,4β,5α,6α)- [ACD/Index Name]
neo-Inosamine-2
2L-2-Amino-2-deoxy-neo-inositol
488-53-9 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 334.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.9±6.0 kJ/mol
Flash Point: 156.1±27.9 °C
Index of Refraction: 1.722
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 88.7±3.0 dyne/cm
Molar Volume: 99.0±3.0 cm3

Click to predict properties on the Chemicalize site


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