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

• ChemBase编号: 178286
• 分子式: C9H17N5O7S
• 平均质量: 339.32558
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one; sulfuric acid
• IUPAC传统名: 6R-5,6,7,8-tetrahydrobiopterin; sulfuric acid
• 别名: (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

登记号

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

理论计算性质

• Acid pKa: 11.118297
• 质子受体: 7
• 质子供体: 6
• LogD (pH = 5.5): -2.373985
• LogD (pH = 7.4): -2.3219085
• Log P: -2.3211265
• 摩尔折射率: 68.6334 cm^3
• 极化性: 22.361328 Å^3
• 极化表面积: 132.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Water
• 外观: Light Yellow Solid
• 熔点: >220°C (dec.)

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

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

参考文献

• 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)