(1S,6R,8R,9R)-8-[6-Amino-8-(Phenylmethylsulfanyl)Purin-9-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
[CAS# 32487-38-0]

Identification

• Name: (1S,6R,8R,9R)-8-[6-Amino-8-(Phenylmethylsulfanyl)Purin-9-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Synonyms: (1S,6R,8R,9R)-8-[6-Amino-8-(Phenylmethylthio)-9-Purinyl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (1S,6R,8R,9R)-8-[6-Amino-8-(Benzylthio)Purin-9-Yl]-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; 8-Benzylthio-Camp
• Molecular Formula: C₁₇H₁₈N₅O₆PS
• Molecular Weight: 451.39
• CAS Registry Number: 32487-38-0
• SMILES: [C@@H]15CO[P](=O)(O[C@H]1[C@H]([C@H]([N]2C(=NC3=C2N=CN=C3N)SCC4=CC=CC=C4)O5)O)O
• InChI: 1S/C17H18N5O6PS/c18-14-11-15(20-8-19-14)22(17(21-11)30-7-9-4-2-1-3-5-9)16-12(23)13-10(27-16)6-26-29(24,25)28-13/h1-5,8,10,12-13,16,23H,6-7H2,(H,24,25)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
• InChIKey: XOQMHXSVDYQBOZ-XNIJJKJLSA-N

Properties

• Density: 1.95g/cm³ (Cal.)
• Boiling point: 780.106°C at 760 mmHg (Cal.)
• Flash point: 425.593°C (Cal.)