[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hydrogen Phosphate
[CAS# 75252-35-6]

Identification

• Name: [[(2R,3S,4S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hydrogen Phosphate
• Synonyms: [[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hydrogen Phosphate; [[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Hydrogen Phosphate; [[(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [2-[(10R,11S,13S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Hydrogen Phosphate
• Molecular Formula: C₃₀H₄₁N₃O₁₅P₂
• Molecular Weight: 745.61
• CAS Registry Number: 75252-35-6
• SMILES: [C@]14([C@](O)(CCC1C3C([C@@]2(C(=CC(=O)C=C2)CC3)C)[C@@H](O)C4)C(=O)CO[P](O[P](OC[C@H]6O[C@@H](N5C(=O)N=C(N)C=C5)[C@@H](O)[C@@H]6O)(=O)O)(=O)O)C
• InChI: 1S/C30H41N3O15P2/c1-28-8-5-16(34)11-15(28)3-4-17-18-6-9-30(40,29(18,2)12-19(35)23(17)28)21(36)14-46-50(43,44)48-49(41,42)45-13-20-24(37)25(38)26(47-20)33-10-7-22(31)32-27(33)39/h5,7-8,10-11,17-20,23-26,35,37-38,40H,3-4,6,9,12-14H2,1-2H3,(H,41,42)(H,43,44)(H2,31,32,39)/t17?,18?,19-,20+,23?,24+,25-,26+,28-,29-,30-/m0/s1
• InChIKey: BHVHEUQEPAHXLE-DXCUYQCOSA-N

Properties

• Density: 1.834g/cm³ (Cal.)
• Boiling point: 962.698°C at 760 mmHg (Cal.)
• Flash point: 536.021°C (Cal.)