[2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate

C96H138Cl2F4N10O41P4S2 — CID 161311365

IUPAC[2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc(Cl)cc2)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C25H32ClFN3O10P.C25H40FN2O10PS2.C23H30ClFN3O9P.C23H36FN2O12P/c1-14(2)37-21(33)15(3)29-41(35,40-19-9-7-18(26)8-10-19)36-13-25(27)22(38-17(5)31)24(6,34)23(39-25)30-12-11-20(32)28-16(30)4;1-16-27-17(29)9-10-28(16)19-24(8,33)18(30)25(26,38-19)15-37-39(34,35-11-13-40-20(31)22(2,3)4)36-12-14-41-21(32)23(5,6)7;1-13(2)35-19(30)14(3)27-38(33,37-17-8-6-16(24)7-9-17)34-12-23(25)20(31)22(5,32)21(36-23)28-11-10-18(29)26-15(28)4;1-14-25-15(27)9-10-26(14)17-22(8,31)16(28)23(24,38-17)11-35-39(32,36-12-33-18(29)20(2,3)4)37-13-34-19(30)21(5,6)7/h7-12,14-15,22-23,34H,4,13H2,1-3,5-6H3,(H,28,32)(H,29,35);9-10,18-19,30,33H,1,11-15H2,2-8H3,(H,27,29);6-11,13-14,20-21,31-32H,4,12H2,1-3,5H3,(H,26,29)(H,27,33);9-10,16-17,28,31H,1,11-13H2,2-8H3,(H,25,27)/t15?,22-,23+,24+,25+,41?;18-,19+,24+,25+;14?,20-,21+,22+,23+,38?;16-,17+,22+,23+/m0000/s1
InChIKeyVIXWEDKSSCYJBW-KHIOOWBSSA-N
MW2423.12 g/mol
LogP10.31
Rot. Bonds43

About [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate

[2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate (PubChem CID 161311365) has the molecular formula C96H138Cl2F4N10O41P4S2 and a molecular weight of 2423.12 g/mol. Its IUPAC name is [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate.

Molecular Properties

Compound Name[2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
PubChem CID161311365
Molecular FormulaC96H138Cl2F4N10O41P4S2
Molecular Weight2423.12 g/mol
Exact Mass2420.67
IUPAC Name[2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc(Cl)cc2)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C25H32ClFN3O10P.C25H40FN2O10PS2.C23H30ClFN3O9P.C23H36FN2O12P/c1-14(2)37-21(33)15(3)29-41(35,40-19-9-7-18(26)8-10-19)36-13-25(27)22(38-17(5)31)24(6,34)23(39-25)30-12-11-20(32)28-16(30)4;1-16-27-17(29)9-10-28(16)19-24(8,33)18(30)25(26,38-19)15-37-39(34,35-11-13-40-20(31)22(2,3)4)36-12-14-41-21(32)23(5,6)7;1-13(2)35-19(30)14(3)27-38(33,37-17-8-6-16(24)7-9-17)34-12-23(25)20(31)22(5,32)21(36-23)28-11-10-18(29)26-15(28)4;1-14-25-15(27)9-10-26(14)17-22(8,31)16(28)23(24,38-17)11-35-39(32,36-12-33-18(29)20(2,3)4)37-13-34-19(30)21(5,6)7/h7-12,14-15,22-23,34H,4,13H2,1-3,5-6H3,(H,28,32)(H,29,35);9-10,18-19,30,33H,1,11-15H2,2-8H3,(H,27,29);6-11,13-14,20-21,31-32H,4,12H2,1-3,5H3,(H,26,29)(H,27,33);9-10,16-17,28,31H,1,11-13H2,2-8H3,(H,25,27)/t15?,22-,23+,24+,25+,41?;18-,19+,24+,25+;14?,20-,21+,22+,23+,38?;16-,17+,22+,23+/m0000/s1
InChIKeyVIXWEDKSSCYJBW-KHIOOWBSSA-N
XLogP10.31
TPSA658.17 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds43
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002423.12
LogP ≤ 510.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
The IUPAC name of [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate (CID 161311365) is [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate.
What is the SMILES notation for [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
The canonical SMILES for [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate is C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc(Cl)cc2)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc(Cl)cc2)[C@@H](OC(C)=O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
The InChIKey is VIXWEDKSSCYJBW-KHIOOWBSSA-N. The full InChI is InChI=1S/C25H32ClFN3O10P.C25H40FN2O10PS2.C23H30ClFN3O9P.C23H36FN2O12P/c1-14(2)37-21(33)15(3)29-41(35,40-19-9-7-18(26)8-10-19)36-13-25(27)22(38-17(5)31)24(6,34)23(39-25)30-12-11-20(32)28-16(30)4;1-16-27-17(29)9-10-28(16)19-24(8,33)18(30)25(26,38-19)15-37-39(34,35-11-13-40-20(31)22(2,3)4)36-12-14-41-21(32)23(5,6)7;1-13(2)35-19(30)14(3)27-38(33,37-17-8-6-16(24)7-9-17)34-12-23(25)20(31)22(5,32)21(36-23)28-11-10-18(29)26-15(28)4;1-14-25-15(27)9-10-26(14)17-22(8,31)16(28)23(24,38-17)11-35-39(32,36-12-33-18(29)20(2,3)4)37-13-34-19(30)21(5,6)7/h7-12,14-15,22-23,34H,4,13H2,1-3,5-6H3,(H,28,32)(H,29,35);9-10,18-19,30,33H,1,11-15H2,2-8H3,(H,27,29);6-11,13-14,20-21,31-32H,4,12H2,1-3,5H3,(H,26,29)(H,27,33);9-10,16-17,28,31H,1,11-13H2,2-8H3,(H,25,27)/t15?,22-,23+,24+,25+,41?;18-,19+,24+,25+;14?,20-,21+,22+,23+,38?;16-,17+,22+,23+/m0000/s1.
What are the key properties of [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
[2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate has a molecular weight of 2423.12 g/mol, XLogP of 10.31, 43 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethylpropanoyloxymethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate;S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;propan-2-yl 2-[[[(2S,3S,4R,5R)-3-acetyloxy-2-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate;propan-2-yl 2-[[(4-chlorophenoxy)-[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate is sourced from PubChem (CID 161311365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).