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Search term: HKCYZTKHPLJZDR-SRBOSORUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Hydroxy-1-[(6R)-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydro-6-pteridinyl]-1-propanone | C9H13N5O3

2-Hydroxy-1-[(6R)-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydro-6-pteridinyl]-1-propanone

  • Molecular FormulaC9H13N5O3
  • Average mass239.231 Da
  • Monoisotopic mass239.101837 Da
  • ChemSpider ID58837697

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Propanone, 1-[(6R)-1,2,5,6,7,8-hexahydro-4-hydroxy-2-imino-6-pteridinyl]-2-hydroxy- [ACD/Index Name]
2-Hydroxy-1-[(6R)-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydro-6-pteridinyl]-1-propanon [German] [ACD/IUPAC Name]
2-Hydroxy-1-[(6R)-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydro-6-pteridinyl]-1-propanone [ACD/IUPAC Name]
2-Hydroxy-1-[(6R)-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydro-6-ptéridinyl]-1-propanone [French] [ACD/IUPAC Name]
(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydropteridin-4(1H)-one
(6R)-6-lactoyl-5,6,7,8-tetrahydropterin
6-Lactoyl-5,6,7,8-tetrahydropterin
  • Miscellaneous

    • Chemical Class:

      A 6-lactoyl-5,6,7,8-tetrahydropterin in which the stereocentre at position 6 has <stereo>R</stereo>-configuration. ChEBI CHEBI:136565
      A 6-lactoyl-5,6,7,8-tetrahydropterin in which the stereocentre at position 6 has R-configuration. ChEBI CHEBI:136565

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

Density: 1.9±0.1 g/cm3
Boiling Point: 464.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 234.6±31.5 °C
Index of Refraction: 1.822
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.78
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

Click to predict properties on the Chemicalize site


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