(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one; sulfuric acid

• ChemBase ID: 178286
• Molecular Formular: C9H17N5O7S
• Molecular Mass: 339.32558
• Monoisotopic Mass: 339.08486891
• SMILES: [nH]1c(nc2c(c1=O)N[C@H](CN2)[C@H]([C@H](C)O)O)N.S(=O)(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.C[C@@H]([C@@H]([C@H]1CNc2c(N1)c(=O)[nH]c(n2)N)O)O
• InChI: InChI=1S/C9H15N5O3.H2O4S/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;1-5(2,3)4/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);(H2,1,2,3,4)/t3-,4+,6-;/m0./s1
• InChIKey: YCBVHESKFWFUMG-ZUOBHZEMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one; sulfuric acid
• IUPAC Traditional name: 6R-5,6,7,8-tetrahydrobiopterin; sulfuric acid
• Synonyms: (6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone-d3 Sulfate; (6R)-5,6,7,8-Tetrahydro-biopterin-d3 Sulfate; (6R)-Tetrahydro-L-biopterin-d3 Sulfate(Mixture of Diastereomers); (6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone Sulfate; (6R)-5,6,7,8-Tetrahydro-biopterin Sulfate; Sapropterin Sulfate; (6R)-Tetrahydro-L-biopterin Sulfate

Database IDs

• CAS Number: 103130-44-5
• PubChem SID: 164234196
• PubChem CID: 46783038

CALCULATED PROPERTIES

• Acid pKa: 11.118297
• H Acceptors: 7
• H Donor: 6
• LogD (pH = 5.5): -2.373985
• LogD (pH = 7.4): -2.3219085
• Log P: -2.3211265
• Molar Refractivity: 68.6334 cm^3
• Polarizability: 22.361328 Å^3
• Polar Surface Area: 132.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Light Yellow Solid
• Melting Point: >220°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - T293177

The labelled R-enantiomer of Tetrahydro-L-biopterin. A natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthase. An essential cofactor for the production of neurotransmitters such as catechola

Toronto Research Chemicals - T293175

A natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthase.An essential cofactor for the production of neurotransmitters such as catecholamines, serotonin, and nitric oxide. Increasing BH4 lev

REFERENCES

• Kwon, N.S., et al.: J. Biol. Chem., 264, 20498 (1989)
• Werner, E.R., et al.: Proc. Soc. Exp. Biol. Med., 203, 1 (1989)
• Kwon, N.S., et al.: J. Biol. Chem., 264, 20498 (1989)
• Werner, E.R., et al.: Proc. Soc. Exp. Biol. Med., 203, 1 (1989)