ChemSpider 2D Image | 1-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]-1,2-propanedione | C9H11N5O3

1-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]-1,2-propanedione

  • Molecular FormulaC9H11N5O3
  • Average mass237.215 Da
  • Monoisotopic mass237.086182 Da
  • ChemSpider ID68026425

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Propanedione, 1-[(6S)-1,2,3,4,5,6,7,8-octahydro-2-imino-4-oxo-6-pteridinyl]- [ACD/Index Name]
1-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]-1,2-propandion [German] [ACD/IUPAC Name]
1-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-pteridinyl]-1,2-propanedione [ACD/IUPAC Name]
1-[(6S)-2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydro-6-ptéridinyl]-1,2-propanedione [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.822
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -4.16
ACD/LogD (pH 5.5): -4.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 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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