Pteroyltetraglutamic acid
[CAS# 29701-38-0]

Identification

• Name: Pteroyltetraglutamic acid
• Synonyms: (2S,6R)-2-Amino-6-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Oxycarbonyl-5-Oxo-Nonanedioic Acid; (2S,6R)-2-Amino-6-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentoxy]-Oxomethyl]-6-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxononanedioic Acid; (2S,6R)-2-Amino-6-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]-[4-[(2-Amino-4-Keto-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]-6-[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Oxycarbonyl-5-Keto-Azelaic Acid
• Molecular Formula: C₃₄H₄₀N₁₀O₁₅
• Molecular Weight: 828.75
• CAS Registry Number: 29701-38-0 (57361-59-8)
• SMILES: [C@@](C(=O)OC(CC[C@@H](C(=O)O)N)=O)(N(C(C1=CC=C(C=C1)NCC3=NC2=C(NC(=NC2=O)N)N=C3)=O)C(CC[C@@H](C(=O)O)N)=O)(CCC(=O)O)C(CC[C@@H](C(=O)O)N)=O
• InChI: 1S/C34H40N10O15/c35-18(29(52)53)5-8-21(45)34(12-11-23(47)48,32(58)59-24(49)10-7-20(37)31(56)57)44(22(46)9-6-19(36)30(54)55)28(51)15-1-3-16(4-2-15)39-13-17-14-40-26-25(41-17)27(50)43-33(38)42-26/h1-4,14,18-20,39H,5-13,35-37H2,(H,47,48)(H,52,53)(H,54,55)(H,56,57)(H3,38,40,42,43,50)/t18-,19-,20-,34+/m0/s1
• InChIKey: BYLAPEVCLJECHH-NORTZESASA-N

Properties

• Density: 1.7g/cm³ (Cal.)
• Boiling point: 1196.467°C at 760 mmHg (Cal.)
• Flash point: 677.399°C (Cal.)