ChemSpider 2D Image | (4aS,6R)-6-(1,2-Dihydroxypropyl)-2-imino-1,5,6,7-tetrahydro-4,4a(2H)-pteridinediol | C9H15N5O4

(4aS,6R)-6-(1,2-Dihydroxypropyl)-2-imino-1,5,6,7-tetrahydro-4,4a(2H)-pteridinediol

  • Molecular FormulaC9H15N5O4
  • Average mass257.246 Da
  • Monoisotopic mass257.112396 Da
  • ChemSpider ID58837698

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4aS,6R)-6-(1,2-Dihydroxypropyl)-2-imino-1,5,6,7-tetrahydro-4,4a(2H)-pteridindiol [German] [ACD/IUPAC Name]
(4aS,6R)-6-(1,2-Dihydroxypropyl)-2-imino-1,5,6,7-tetrahydro-4,4a(2H)-pteridinediol [ACD/IUPAC Name]
(4aS,6R)-6-(1,2-Dihydroxypropyl)-2-imino-1,5,6,7-tétrahydro-4,4a(2H)-ptéridinediol [French] [ACD/IUPAC Name]
4,4a(2H)-Pteridinediol, 6-(1,2-dihydroxypropyl)-1,5,6,7-tetrahydro-2-imino-, (4aS,6R)- [ACD/Index Name]
4&α;-hydroxy-5,6,7,8-tetrahydrobiopterin
4&α;-hydroxy-5,6,7,8-tetrahydrobiopterin|4&α;-hydroxy-tetrahydropterin|6<i>R</i>)-6-(L-<i&gt;erythro</i>-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4&α;-hydroxypterin
4&α;-hydroxy-tetrahydrobiopterin
4&α;-hydroxy-tetrahydropterin
6<i>R</i&gt;)-6-(L-<i>erythro</i>-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4&α;-hydroxypterin

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

Density: 2.0±0.1 g/cm3
Boiling Point: 550.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 286.8±32.9 °C
Index of Refraction: 1.826
Molar Refractivity: 56.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 98.1±7.0 dyne/cm
Molar Volume: 129.8±7.0 cm3

Click to predict properties on the Chemicalize site


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