Tetrahydropteroylpentaglutamate
[CAS# 41520-73-4]

Identification

• Name: Tetrahydropteroylpentaglutamate
• Synonyms: (2S,6R,11S)-2,11-Diamino-6-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Oxycarbonyl-7-(Carboxymethyl)-5,8-Dioxo-Dodecanedioic Acid; (2S,6R,11S)-2,11-Diamino-6-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentoxy]-Oxomethyl]-6-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]-[[4-[(2-Amino-4-Oxo-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]-7-(Carboxymethyl)-5,8-Dioxododecanedioic Acid; (2S,6R,11S)-2,11-Diamino-6-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]-[4-[(2-Amino-4-Keto-5,6,7,8-Tetrahydro-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Oxycarbonyl-7-(Carboxymethyl)-5,8-Diketo-Dodecanedioic Acid
• Molecular Formula: C₃₉H₅₁N₁₁O₁₈
• Molecular Weight: 961.89
• CAS Registry Number: 41520-73-4
• SMILES: [C@@](N(C(=O)C3=CC=C(NCC1NC2=C(NC1)NC(=NC2=O)N)C=C3)C(=O)CC[C@H](N)C(=O)O)(C(C(=O)CC[C@H](N)C(=O)O)CC(=O)O)(C(OC(=O)CC[C@H](N)C(=O)O)=O)C(=O)CC[C@H](N)C(=O)O
• InChI: 1S/C39H51N11O18/c40-20(33(59)60)5-9-24(51)19(13-27(54)55)39(25(52)10-6-21(41)34(61)62,37(67)68-28(56)12-8-23(43)36(65)66)50(26(53)11-7-22(42)35(63)64)32(58)16-1-3-17(4-2-16)45-14-18-15-46-30-29(47-18)31(57)49-38(44)48-30/h1-4,18-23,45,47H,5-15,40-43H2,(H,54,55)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H4,44,46,48,49,57)/t18?,19?,20-,21-,22-,23-,39+/m0/s1
• InChIKey: KOKHBTUTPWMWQI-CWCSDLQQSA-N

Properties

• Density: 1.731g/cm³ (Cal.)
• Boiling point: 1302.701°C at 760 mmHg (Cal.)
• Flash point: 741.647°C (Cal.)