Found 12 results

Search term: NRKVPNOUINUNKY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(3aR,4R,5R,6S,6aS)-4,5,6-Trihydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-2-ylidene]-alpha-D-glycero-hexopyranosylamine | C13H22N2O10

N-[(3aR,4R,5R,6S,6aS)-4,5,6-Trihydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-2-ylidene]-α-D-glycero-hexopyranosylamine

  • Molecular FormulaC13H22N2O10
  • Average mass366.321 Da
  • Monoisotopic mass366.127441 Da
  • ChemSpider ID78445750

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

N-[(3aR,4R,5R,6S,6aS)-4,5,6-Trihydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-2-yliden]-α-D-glycero-hexopyranosylamin [German] [ACD/IUPAC Name]
N-[(3aR,4R,5R,6S,6aS)-4,5,6-Trihydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-2-ylidene]-α-D-glycero-hexopyranosylamine [ACD/IUPAC Name]
N-[(3aR,4R,5R,6S,6aS)-4,5,6-Trihydroxy-4-(hydroxyméthyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-2-ylidène]-α-D-glycéro-hexopyranosylamine [French] [ACD/IUPAC Name]
α-D-glycero-Hexopyranosylamine, N-[(3aR,4R,5R,6S,6aS)-hexahydro-4,5,6-trihydroxy-4-(hydroxymethyl)-2H-cyclopent[d]oxazol-2-ylidene]- [ACD/Index Name]
Trehalostatin

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

Density: 2.3±0.1 g/cm3
Boiling Point: 767.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.826
Molar Refractivity: 71.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 113.5±7.0 dyne/cm
Molar Volume: 162.4±7.0 cm3

Click to predict properties on the Chemicalize site


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