ChemSpider 2D Image | (2S,3S,4S,5R)-2-(Hydroxymethyl)-3,4,5-piperidinetriol | C6H13NO4

(2S,3S,4S,5R)-2-(Hydroxymethyl)-3,4,5-piperidinetriol

  • Molecular FormulaC6H13NO4
  • Average mass163.172 Da
  • Monoisotopic mass163.084457 Da
  • ChemSpider ID23243874

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4S,5R)-2-(Hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2S,3S,4S,5R)-2-(Hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2S,3S,4S,5R)-2-(Hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
(2S,3S,4S,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5R)- [ACD/Index Name]
(2S,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol
1,5-DIDEOXY-1,5-IMINO-D-MANNITOL
146747-37-7 [RN]
19130-96-2 [RN]
1-deoxymannojirimycin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 361.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.3±6.0 kJ/mol
Flash Point: 197.3±18.5 °C
Index of Refraction: 1.582
Molar Refractivity: 37.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 112.0±3.0 cm3

Click to predict properties on the Chemicalize site


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