ChemSpider 2D Image | (6R)-L-threo-tetrahydrobiopterin | C9H15N5O3

(6R)-L-threo-tetrahydrobiopterin

  • Molecular FormulaC9H15N5O3
  • Average mass241.247 Da
  • Monoisotopic mass241.117493 Da
  • ChemSpider ID27471416
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(6R)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
(6R)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone [ACD/IUPAC Name]
(6R)-2-Amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tétrahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
(6R)-L-threo-tetrahydrobiopterin
4(1H)-Pteridinone, 2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-, (6R)- [ACD/Index Name]
(6R)-2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(1H)-one
(6R)-L-threo-5,6,7,8-tetrahydrobiopterin
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64241
L-threo-5,6,7,8-tetrahydrobiopterin
L-threo-tetrahydrobiopterin

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

CHEBI:64241 [DBID]
  • Miscellaneous
    • Chemical Class:

      A 5,6,7,8-tetrahydrobiopterin in which the 1,2-dihydroxypropyl group has (1<stereo>S</stereo>,2<stereo>S</stereo>)-configuration. ChEBI CHEBI:64241

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

Density: 1.9±0.1 g/cm3
Boiling Point: 506.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.4±6.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.822
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -4.22
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

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