Found 3 results

Search term: XMYOOLHKDQVQHP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-D-allitol | C12H19N5O5

1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-D-allitol

  • Molecular FormulaC12H19N5O5
  • Average mass313.310 Da
  • Monoisotopic mass313.138611 Da
  • ChemSpider ID62661305

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-D-allitol [ACD/IUPAC Name]
1-Desoxy-1-[methyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-D-allitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[méthyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 1-deoxy-1-(methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 73.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.53
ACD/LogD (pH 5.5): -2.60
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: 147 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 73.4±7.0 dyne/cm
Molar Volume: 190.1±7.0 cm3

Click to predict properties on the Chemicalize site


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