ChemSpider 2D Image | (6S)-6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone | C9H14N4O3

(6S)-6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone

  • Molecular FormulaC9H14N4O3
  • Average mass226.232 Da
  • Monoisotopic mass226.106583 Da
  • ChemSpider ID30776613

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6S)-6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
(6S)-6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone [ACD/IUPAC Name]
(6S)-6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tétrahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
4(1H)-Pteridinone, 6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (6S)- [ACD/Index Name]
(6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin
(6S)-6-[(2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
(6S)-6-[(2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
4a-hydroxytetrahydrobiopterin
70110-58-6 [RN]
Hydroxypterin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 461.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 232.9±31.5 °C
Index of Refraction: 1.758
Molar Refractivity: 53.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -4.61
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 130.3±7.0 cm3

Click to predict properties on the Chemicalize site


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