ChemSpider 2D Image | (1S,2R)-1-(2-Amino-4-hydroxy-6-pteridinyl)-1,2-(3,3,3-~2~H_3_)propanediol | C9H8D3N5O3

(1S,2R)-1-(2-Amino-4-hydroxy-6-pteridinyl)-1,2-(3,3,3-2H3)propanediol

  • Molecular FormulaC9H8D3N5O3
  • Average mass240.234 Da
  • Monoisotopic mass240.105026 Da
  • ChemSpider ID78076089

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,2R)-1-(2-Amino-4-hydroxy-6-pteridinyl)-1,2-(3,3,3-2H3)propandiol [German] [ACD/IUPAC Name]
(1S,2R)-1-(2-Amino-4-hydroxy-6-pteridinyl)-1,2-(3,3,3-2H3)propanediol [ACD/IUPAC Name]
(1S,2R)-1-(2-Amino-4-hydroxy-6-ptéridinyl)-1,2-(3,3,3-2H3)propanediol [French] [ACD/IUPAC Name]
1,2-Propane-3,3,3-d3-diol, 1-(2-amino-4-hydroxy-6-pteridinyl)-, (1S,2R)- [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: 630.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 334.9±34.3 °C
Index of Refraction: 1.779
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 122.5±3.0 dyne/cm
Molar Volume: 142.6±3.0 cm3

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