1,2-Bis[(2S,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Ethyl Phosphono Hydrogen Phosphate
[CAS# 3150-34-3]

Identification

• Name: 1,2-Bis[(2S,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Ethyl Phosphono Hydrogen Phosphate
• Synonyms: 1,2-Bis[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethyl Phosphono Hydrogen Phosphate; 1,2-Bis[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Ethyl Phosphono Hydrogen Phosphate; 1,2-Bis[(2S,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Ethyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₆N₆O₁₅P₂
• Molecular Weight: 628.38
• CAS Registry Number: 3150-34-3
• SMILES: [C@@H]3(C(O[P](O[P](=O)(O)O)(=O)O)C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)N2C(=O)N=C(N)C=C2)[C@@H](O)[C@@H](O)[C@@H](O3)N4C(=O)N=C(N)C=C4
• InChI: 1S/C18H26N6O15P2/c19-8-1-3-23(17(29)21-8)15-12(27)10(25)6(36-15)5-7(38-41(34,35)39-40(31,32)33)14-11(26)13(28)16(37-14)24-4-2-9(20)22-18(24)30/h1-4,6-7,10-16,25-28H,5H2,(H,34,35)(H2,19,21,29)(H2,20,22,30)(H2,31,32,33)/t6-,7?,10-,11+,12-,13-,14-,15-,16-/m1/s1
• InChIKey: OZORAFDTIRRQFA-PJHBFNAPSA-N

Properties

• Density: 2.336g/cm³ (Cal.)
• Boiling point: 1015.781°C at 760 mmHg (Cal.)
• Flash point: 568.124°C (Cal.)