8-(2-Carboxymethylthio)-Cgmp
[CAS# 114115-66-1]

Identification

• Name: 8-(2-Carboxymethylthio)-Cgmp
• Synonyms: 2-[[2-Amino-9-[(1R,6S,9R)-3,9-Dihydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Oxo-3H-Purin-8-Yl]Thio]Acetic Acid; 2-[[2-Amino-9-[(1R,6S,9R)-3,9-Dihydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Keto-3H-Purin-8-Yl]Thio]Acetic Acid; 2-[[2-Amino-9-[(1R,6S,9R)-3,9-Dihydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Oxo-3H-Purin-8-Yl]Sulfanyl]Ethanoic Acid
• Molecular Formula: C₁₂H₁₄N₅O₉PS
• Molecular Weight: 435.30
• CAS Registry Number: 114115-66-1
• SMILES: [C@H]14O[P](OC[C@@H]1OC([N]2C3=C(N=C2SCC(O)=O)C(=O)N=C(N3)N)[C@@H]4O)(O)=O
• InChI: 1S/C12H14N5O9PS/c13-11-15-8-5(9(21)16-11)14-12(28-2-4(18)19)17(8)10-6(20)7-3(25-10)1-24-27(22,23)26-7/h3,6-7,10,20H,1-2H2,(H,18,19)(H,22,23)(H3,13,15,16,21)/t3-,6+,7-,10?/m0/s1
• InChIKey: DAAIBHWHBADGSC-IWVSLRJGSA-N

Properties

• Density: 2.539g/cm³ (Cal.)
• Boiling point: 876.997°C at 760 mmHg (Cal.)
• Flash point: 484.191°C (Cal.)