5-Methyltetrahydropteroylpentaglutamate
[CAS# 39555-46-9]

Identification

• Name: 5-Methyltetrahydropteroylpentaglutamate
• Synonyms: (2S,6R,11S)-2,11-Diamino-6-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-[4-[(2-Amino-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-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-5-Methyl-4-Oxo-1,6,7,8-Tetrahydropteridin-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-Methyl-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Oxycarbonyl-7-(Carboxymethyl)-5,8-Diketo-Dodecanedioic Acid
• Molecular Formula: C₄₀H₅₃N₁₁O₁₈
• Molecular Weight: 975.92
• CAS Registry Number: 39555-46-9
• SMILES: [C@@](N(C(=O)C3=CC=C(NCC1N(C2=C(NC1)NC(=NC2=O)N)C)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/C40H53N11O18/c1-50-19(16-47-31-30(50)32(58)49-39(45)48-31)15-46-18-4-2-17(3-5-18)33(59)51(27(54)12-8-23(43)36(64)65)40(26(53)11-7-22(42)35(62)63,38(68)69-29(57)13-9-24(44)37(66)67)20(14-28(55)56)25(52)10-6-21(41)34(60)61/h2-5,19-24,46H,6-16,41-44H2,1H3,(H,55,56)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H4,45,47,48,49,58)/t19?,20?,21-,22-,23-,24-,40+/m0/s1
• InChIKey: WNRFVFOPCUPRFK-JPUKBXPDSA-N

Properties

• Density: 1.692g/cm³ (Cal.)
• Boiling point: 1287.134°C at 760 mmHg (Cal.)
• Flash point: 732.232°C (Cal.)