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Search term: N[C@@H]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | (1S,2R,3R,4S,5R)-5-Amino-1,2,3,4-cyclohexanetetrol | C6H13NO4

(1S,2R,3R,4S,5R)-5-Amino-1,2,3,4-cyclohexanetetrol

  • Molecular FormulaC6H13NO4
  • Average mass163.172 Da
  • Monoisotopic mass163.084457 Da
  • ChemSpider ID61394714
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,2R,3R,4S,5R)-5-Amino-1,2,3,4-cyclohexanetetrol [ACD/IUPAC Name]
(1S,2R,3R,4S,5R)-5-Amino-1,2,3,4-cyclohexanetétrol [French] [ACD/IUPAC Name]
(1S,2R,3R,4S,5R)-5-Amino-1,2,3,4-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-amino-, (1S,2R,3R,4S,5R)- [ACD/Index Name]
76188-89-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 301.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.9±6.0 kJ/mol
Flash Point: 136.4±27.9 °C
Index of Refraction: 1.659
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

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