disodium [(2R,3S,4S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[3-(cetylthio)-2-hexadecanoyloxy-propoxy]-hydroxy-oxido-phosphaniumyl]oxy-phosphinic acid
[CAS# 125592-29-2]

Identification

• Name: disodium [(2R,3S,4S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[3-(cetylthio)-2-hexadecanoyloxy-propoxy]-hydroxy-oxido-phosphaniumyl]oxy-phosphinic acid
• Synonyms: Disodium [(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(2-Hexadecanoyloxy-3-Hexadecylsulfanyl-Propoxy)-Hydroxy-Oxido-Phosphaniumyl]Oxy-Phosphinic Acid; Disodium [(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-[[3-(Hexadecylthio)-2-(1-Oxohexadecoxy)Propoxy]-Hydroxy-Oxidophosphaniumyl]Oxyphosphinic Acid; Disodium [(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[3-(Cetylthio)-2-Hexadecanoyloxy-Propoxy]-Hydroxy-Oxido-Phosphaniumyl]Oxy-Phosphinic Acid
• Molecular Formula: C₄₄H₈₃N₃Na₂O₁₃P₂S
• Molecular Weight: 1002.14
• CAS Registry Number: 125592-29-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](OCC(OC(=O)CCCCCCCCCCCCCCC)CSCCCCCCCCCCCCCCCC)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2.[Na+].[Na+]
• InChI: 1S/C44H83N3O13P2S.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-63-36-37(58-40(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-56-61(52,53)60-62(54,55)57-35-38-41(49)42(50)43(59-38)47-32-31-39(45)46-44(47)51;;/h31-32,37-38,41-43,49-50H,3-30,33-36H2,1-2H3,(H,52,53)(H,54,55)(H2,45,46,51);;/q;2*+1/t37?,38-,41-,42+,43-;;/m1../s1
• InChIKey: XSXWPAWSHVVCPI-ZHRDCSITSA-N