Tatiopterin
[CAS# 125794-90-3]

Identification

• Name: Tatiopterin
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[5-[5-[4-[1-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[2-[[5-[5-[4-[1-(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxypentoxy]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-1,5-Dioxopentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[2-[[5-[5-[4-[1-(2-Amino-4-Keto-1H-Pteridin-6-Yl)Ethylamino]Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-5-Keto-Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Succinic Acid
• Molecular Formula: C₃₈H₅₁N₈O₂₂P
• Molecular Weight: 1002.84
• CAS Registry Number: 125794-90-3
• SMILES: [C@H](NC(=O)C(O[P](OCC4OC(OCC(O)C(O)C(O)CC3=CC=C(NC(C2=CN=C1NC(=NC(=O)C1=N2)N)C)C=C3)C(O)C4O)(O)=O)CCC(O)=O)(CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
• InChI: 1S/C38H51N8O22P/c1-15(20-12-40-32-28(42-20)35(60)46-38(39)45-32)41-17-4-2-16(3-5-17)10-21(47)29(55)22(48)13-65-37-31(57)30(56)24(67-37)14-66-69(63,64)68-23(7-9-26(51)52)34(59)43-18(6-8-25(49)50)33(58)44-19(36(61)62)11-27(53)54/h2-5,12,15,18-19,21-24,29-31,37,41,47-48,55-57H,6-11,13-14H2,1H3,(H,43,59)(H,44,58)(H,49,50)(H,51,52)(H,53,54)(H,61,62)(H,63,64)(H3,39,40,45,46,60)/t15?,18-,19-,21?,22?,23?,24?,29?,30?,31?,37?/m0/s1
• InChIKey: QZUKXTYVYRNLDR-ZTZXGBDYSA-N

Properties

• Density: 1.812g/cm³ (Cal.)