(2S,3S,6R)-3-[[2-(2-Amino-1-Methyl-5,6-Dihydro-4H-Pyrimidin-4-Yl)Acetyl]Amino]-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
[CAS# 2005-98-3]

Identification

• Name: (2S,3S,6R)-3-[[2-(2-Amino-1-Methyl-5,6-Dihydro-4H-Pyrimidin-4-Yl)Acetyl]Amino]-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Synonyms: (2S,3S,6R)-3-[[2-(2-Amino-1-Methyl-5,6-Dihydro-4H-Pyrimidin-4-Yl)Acetyl]Amino]-6-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S,6R)-3-[[2-(2-Amino-1-Methyl-5,6-Dihydro-4H-Pyrimidin-4-Yl)-1-Oxoethyl]Amino]-6-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S,6R)-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-[[2-(2-Amino-1-Methyl-5,6-Dihydro-4H-Pyrimidin-4-Yl)Acetyl]Amino]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₃N₇O₅
• Molecular Weight: 405.41
• CAS Registry Number: 2005-98-3
• SMILES: [C@@H]3(NC(=O)CC1N=C(N(CC1)C)N)[C@H](O[C@@H](N2C=CC(=NC2=O)N)C=C3)C(O)=O
• InChI: 1S/C17H23N7O5/c1-23-6-4-9(20-16(23)19)8-12(25)21-10-2-3-13(29-14(10)15(26)27)24-7-5-11(18)22-17(24)28/h2-3,5,7,9-10,13-14H,4,6,8H2,1H3,(H2,19,20)(H,21,25)(H,26,27)(H2,18,22,28)/t9?,10-,13+,14-/m0/s1
• InChIKey: NXYZPLILSHUEBR-LBLJTAPMSA-N

Properties

• Density: 1.657g/cm³ (Cal.)