(3S,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(2-Oxo-1,3-Dioxa-2lambda5-Phosphacyclohex-2-Yl)Oxymethyl]Oxolane-3,4-Diol
[CAS# 78000-58-5]

Identification

• Name: (3S,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(2-Oxo-1,3-Dioxa-2lambda5-Phosphacyclohex-2-Yl)Oxymethyl]Oxolane-3,4-Diol
• Synonyms: (3S,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(2-Oxo-1,3-Dioxa-2$L^{5}-Phosphacyclohex-2-Yl)Oxymethyl]Tetrahydrofuran-3,4-Diol; (3S,4S,5R)-2-(6-Amino-9-Purinyl)-5-[(2-Oxo-1,3-Dioxa-2$L^{5}-Phosphacyclohex-2-Yl)Oxymethyl]Tetrahydrofuran-3,4-Diol; (3S,4S,5R)-2-(6-Aminopurin-9-Yl)-5-[(2-Keto-1,3-Dioxa-2$L^{5}-Phosphacyclohex-2-Yl)Oxymethyl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₃H₁₈N₅O₇P
• Molecular Weight: 387.29
• CAS Registry Number: 78000-58-5
• SMILES: [N]3(C1O[C@@H]([C@@H](O)[C@@H]1O)CO[P]2(OCCCO2)=O)C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C13H18N5O7P/c14-11-8-12(16-5-15-11)18(6-17-8)13-10(20)9(19)7(25-13)4-24-26(21)22-2-1-3-23-26/h5-7,9-10,13,19-20H,1-4H2,(H2,14,15,16)/t7-,9-,10+,13?/m1/s1
• InChIKey: WNWJIOUDQCLXLQ-DHZOBMFLSA-N

Properties

• Density: 2.063g/cm³ (Cal.)
• Boiling point: 699.31°C at 760 mmHg (Cal.)
• Flash point: 376.729°C (Cal.)