(2S,3S,4R,5R)-3-[(2-Amino-3-Methylpentanoyl)Amino]-5-(6-Aminopurin-9-Yl)-4-Hydroxyoxolane-2-Carboxylic Acid
[CAS# 131206-83-2]

Identification

• Name: (2S,3S,4R,5R)-3-[(2-Amino-3-Methylpentanoyl)Amino]-5-(6-Aminopurin-9-Yl)-4-Hydroxyoxolane-2-Carboxylic Acid
• Synonyms: (2S,3S,4R,5R)-3-[(2-Amino-3-Methyl-Pentanoyl)Amino]-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Carboxylic Acid; (2S,3S,4R,5R)-3-[(2-Amino-3-Methyl-1-Oxopentyl)Amino]-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-Tetrahydrofurancarboxylic Acid; (2S,3S,4R,5R)-3-[(2-Amino-3-Methyl-Pentanoyl)Amino]-5-(6-Aminopurin-9-Yl)-4-Hydroxy-Oxolane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₃N₇O₅
• Molecular Weight: 393.40
• CAS Registry Number: 131206-83-2
• SMILES: [C@H]1(O[C@@H]([C@@H](NC(=O)C(N)C(CC)C)[C@H]1O)C(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C16H23N7O5/c1-3-6(2)7(17)14(25)22-8-10(24)15(28-11(8)16(26)27)23-5-21-9-12(18)19-4-20-13(9)23/h4-8,10-11,15,24H,3,17H2,1-2H3,(H,22,25)(H,26,27)(H2,18,19,20)/t6?,7?,8-,10+,11-,15+/m0/s1
• InChIKey: UGBUVVBCVYWCSO-JDNUQWHUSA-N

Properties

• Density: 1.775g/cm³ (Cal.)