(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(7H-purin-6-ylthio)tetrahydropyran-2-carboxamide
[CAS# 80798-22-7]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(7H-purin-6-ylthio)tetrahydropyran-2-carboxamide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(7H-Purin-6-Ylsulfanyl)Tetrahydropyran-2-Carboxamide; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(7H-Purin-6-Ylthio)-2-Tetrahydropyrancarboxamide; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(7H-Purin-6-Ylthio)Tetrahydropyran-2-Carboxamide
• Molecular Formula: C₁₁H₁₃N₅O₅S
• Molecular Weight: 327.31
• CAS Registry Number: 80798-22-7
• SMILES: [C@H]3(SC2=C1[NH]C=NC1=NC=N2)[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)C(=O)N
• InChI: 1S/C11H13N5O5S/c12-8(20)7-5(18)4(17)6(19)11(21-7)22-10-3-9(14-1-13-3)15-2-16-10/h1-2,4-7,11,17-19H,(H2,12,20)(H,13,14,15,16)/t4-,5-,6+,7-,11-/m0/s1
• InChIKey: UXPQSTNGTAGTKO-DEGUGSHBSA-N

Properties

• Density: 1.837g/cm³ (Cal.)
• Boiling point: 868.159°C at 760 mmHg (Cal.)
• Flash point: 478.845°C (Cal.)