(1S,6R,8R,9R)-8-(6-Amino-8-Bromopurin-9-Yl)-3-[(4,5-Dimethoxy-2-Nitrophenyl)Methoxy]-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
[CAS# 177592-87-9]

Identification

• Name: (1S,6R,8R,9R)-8-(6-Amino-8-Bromopurin-9-Yl)-3-[(4,5-Dimethoxy-2-Nitrophenyl)Methoxy]-3-Oxo-2,4,7-Trioxa-3-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Synonyms: (1S,6R,8R,9R)-8-(6-Amino-8-Bromo-Purin-9-Yl)-3-[(4,5-Dimethoxy-2-Nitro-Phenyl)Methoxy]-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (1S,6R,8R,9R)-8-(6-Amino-8-Bromo-9-Purinyl)-3-[(4,5-Dimethoxy-2-Nitrophenyl)Methoxy]-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol; (1S,6R,8R,9R)-8-(6-Amino-8-Bromo-Purin-9-Yl)-3-(4,5-Dimethoxy-2-Nitro-Benzyl)Oxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Ol
• Molecular Formula: C₁₉H₂₀BrN₆O₁₀P
• Molecular Weight: 603.28
• CAS Registry Number: 177592-87-9
• SMILES: [C@@H]14O[P](OC[C@H]1O[C@@H]([N]2C3=C(N=C2Br)C(=NC=N3)N)[C@@H]4O)(OCC5=C([N+]([O-])=O)C=C(OC)C(=C5)OC)=O
• InChI: 1S/C19H20BrN6O10P/c1-31-10-3-8(9(26(28)29)4-11(10)32-2)5-33-37(30)34-6-12-15(36-37)14(27)18(35-12)25-17-13(24-19(25)20)16(21)22-7-23-17/h3-4,7,12,14-15,18,27H,5-6H2,1-2H3,(H2,21,22,23)/t12-,14-,15-,18-,37?/m1/s1
• InChIKey: DNPINJJWFMWFRD-KUUOUUIGSA-N

Properties

• Density: 2.101g/cm³ (Cal.)
• Boiling point: 850.423°C at 760 mmHg (Cal.)
• Flash point: 468.119°C (Cal.)