5-Formyl-5,6,7,8-Tetrahydromethanopterin
[CAS# 99451-79-3]

Identification

• Name: 5-Formyl-5,6,7,8-Tetrahydromethanopterin
• Synonyms: (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(6S,7S)-2-Amino-5-Formyl-7-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl]Ethyl]Amino]Phenyl]-2,3,4-Trihydroxy-Pentoxy]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxypentanedioic Acid; (2
• Molecular Formula: C₃₁H₄₅N₆O₁₇P
• Molecular Weight: 804.70
• CAS Registry Number: 99451-79-3
• SMILES: [C@H]1(N(C2=C(N[C@H]1C)NC(=NC2=O)N)C=O)[C@H](NC4=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@@H]([C@@H](O)[C@H]3O)CO[P](O[C@@H](CCC(O)=O)C(O)=O)(O)=O)C=C4)C
• InChI: 1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,
• InChIKey: RMPHWTMYCVTPKB-ZQPYBXQSSA-N

Properties

• Density: 1.783g/cm³ (Cal.)
• Boiling point: 1198.979°C at 760 mmHg (Cal.)
• Flash point: 678.918°C (Cal.)