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Search term: PESKMWOASBCMRV-JGLDSSSWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(2R,3R,4R,5R)-3,4,5-Trihydroxy-2-piperidinyl]methyl 6-deoxy-alpha-D-mannopyranoside | C12H23NO8

[(2R,3R,4R,5R)-3,4,5-Trihydroxy-2-piperidinyl]methyl 6-deoxy-α-D-mannopyranoside

  • Molecular FormulaC12H23NO8
  • Average mass309.313 Da
  • Monoisotopic mass309.142365 Da
  • ChemSpider ID23327342

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3R,4R,5R)-3,4,5-Trihydroxy-2-piperidinyl]methyl 6-deoxy-α-D-mannopyranoside [ACD/IUPAC Name]
[(2R,3R,4R,5R)-3,4,5-Trihydroxy-2-piperidinyl]methyl-6-desoxy-α-D-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-D-mannopyranoside de [(2R,3R,4R,5R)-3,4,5-trihydroxy-2-pipéridinyl]méthyle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, [(2R,3R,4R,5R)-3,4,5-trihydroxy-2-piperidinyl]methyl 6-deoxy- [ACD/Index Name]
[(2R,3R,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]methyl 6-deoxy-α-D-mannopyranoside
6-O-α-rhamnopyranosyl-DMJ
CHEMBL469655
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469655/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 548.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 285.7±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.76
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 199.8±5.0 cm3

Click to predict properties on the Chemicalize site


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