ChemSpider 2D Image | 4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin | C9H15N5O4

4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin

  • Molecular FormulaC9H15N5O4
  • Average mass257.246 Da
  • Monoisotopic mass257.112396 Da
  • ChemSpider ID30792101
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4aS,6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4a,5,6,7-tetrahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
(4aS,6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4a,5,6,7-tetrahydro-4(1H)-pteridinone [ACD/IUPAC Name]
(4aS,6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4a,5,6,7-tétrahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
4(4aH)-Pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4a-hydroxy-, (4aS,6R)- [ACD/Index Name]
4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin
(6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one
(6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin
  • Miscellaneous
    • Chemical Class:

      A 4a-hydroxytetrahydrobiopterin which has <stereo>R</stereo> configuration at position 6 and in which the dihydroxypropyl substituent has <stereo>L</stereo>-<stereo>erythro</stereo> configuration. ChEBI CHEBI:15642
      A 4a-hydroxytetrahydrobiopterin which has R configuration at position 6 and in which the dihydroxypropyl substituent has L-erythro configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15642

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 565.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 295.9±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: -1.98
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 153 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 98.1±7.0 dyne/cm
Molar Volume: 129.8±7.0 cm3

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