Found 101 results

Search term: MF = 'C_{12}H_{19}N_{5}O_{5}'
ChemSpider 2D Image | 1-Deoxy-1-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-D-allitol | C12H19N5O5

1-Deoxy-1-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-D-allitol

  • Molecular FormulaC12H19N5O5
  • Average mass313.310 Da
  • Monoisotopic mass313.138611 Da
  • ChemSpider ID62490199

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-1-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-D-allitol [ACD/IUPAC Name]
1-Desoxy-1-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-D-allitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[(1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 1-deoxy-1-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 721.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 73.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.66
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 157 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 75.3±7.0 dyne/cm
Molar Volume: 184.0±7.0 cm3

Click to predict properties on the Chemicalize site


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