S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane

C108H146Cl4N12O29P3S3+ — CID 159477505

About S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane

S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane (PubChem CID 159477505) has the molecular formula C108H146Cl4N12O29P3S3+ and a molecular weight of 2407.35 g/mol. Its IUPAC name is S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane.

Molecular Properties

• Compound Name: S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane
• PubChem CID: 159477505
• Molecular Formula: C108H146Cl4N12O29P3S3+
• Molecular Weight: 2407.35 g/mol
• Exact Mass: 2403.74
• IUPAC Name: S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane
• SMILES: C1CCNC1.CC(C)(CO)C(=O)SCCOP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@](C)(O)C1O)N1CCCC1.CCC(C)(C)C(=O)SCCOP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)nc2=O)[C@@](C)(O)C1O)N1CCCC1.CCC(C)(C)C(=O)SCCO[P+](=O)OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)nc2=O)[C@@](C)(O)C1O.ClC(Cl)(Cl)Cl
• InChI: InChI=1S/C43H55N4O10PS.C39H46N3O10PS.C21H35N4O9PS.C4H9N.CCl4/c1-7-41(2,3)39(49)59-28-27-55-58(52,46-24-11-12-25-46)56-29-35-37(48)42(4,51)38(57-35)47-26-23-36(44-40(47)50)45-43(30-13-9-8-10-14-30,31-15-19-33(53-5)20-16-31)32-17-21-34(54-6)22-18-32;1-7-37(2,3)35(44)54-24-23-50-53(47)51-25-31-33(43)38(4,46)34(52-31)42-22-21-32(40-36(42)45)41-39(26-11-9-8-10-12-26,27-13-17-29(48-5)18-14-27)28-15-19-30(49-6)20-16-28;1-20(2,13-26)18(28)36-11-10-32-35(31,24-7-4-5-8-24)33-12-14-16(27)21(3,30)17(34-14)25-9-6-15(22)23-19(25)29;1-2-4-5-3-1;2-1(3,4)5/h8-10,13-23,26,35,37-38,48,51H,7,11-12,24-25,27-29H2,1-6H3,(H,44,45,50);8-22,31,33-34,43,46H,7,23-25H2,1-6H3;6,9,14,16-17,26-27,30H,4-5,7-8,10-13H2,1-3H3,(H2,22,23,29);5H,1-4H2;/p+1/t35-,37?,38-,42+,58?;31-,33?,34-,38+;14-,16?,17-,21+,35?;;/m111../s1
• InChIKey: ZTEUSIASCDYFSQ-HMXLVZCZSA-O
• XLogP: 15.94
• TPSA: 537.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 46
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2407.35
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane?

The IUPAC name of S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane (CID 159477505) is S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane.

What is the SMILES notation for S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane?

The canonical SMILES for S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane is C1CCNC1.CC(C)(CO)C(=O)SCCOP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@](C)(O)C1O)N1CCCC1.CCC(C)(C)C(=O)SCCOP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)nc2=O)[C@@](C)(O)C1O)N1CCCC1.CCC(C)(C)C(=O)SCCO[P+](=O)OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)nc2=O)[C@@](C)(O)C1O.ClC(Cl)(Cl)Cl.

What is the InChIKey of S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane?

The InChIKey is ZTEUSIASCDYFSQ-HMXLVZCZSA-O. The full InChI is InChI=1S/C43H55N4O10PS.C39H46N3O10PS.C21H35N4O9PS.C4H9N.CCl4/c1-7-41(2,3)39(49)59-28-27-55-58(52,46-24-11-12-25-46)56-29-35-37(48)42(4,51)38(57-35)47-26-23-36(44-40(47)50)45-43(30-13-9-8-10-14-30,31-15-19-33(53-5)20-16-31)32-17-21-34(54-6)22-18-32;1-7-37(2,3)35(44)54-24-23-50-53(47)51-25-31-33(43)38(4,46)34(52-31)42-22-21-32(40-36(42)45)41-39(26-11-9-8-10-12-26,27-13-17-29(48-5)18-14-27)28-15-19-30(49-6)20-16-28;1-20(2,13-26)18(28)36-11-10-32-35(31,24-7-4-5-8-24)33-12-14-16(27)21(3,30)17(34-14)25-9-6-15(22)23-19(25)29;1-2-4-5-3-1;2-1(3,4)5/h8-10,13-23,26,35,37-38,48,51H,7,11-12,24-25,27-29H2,1-6H3,(H,44,45,50);8-22,31,33-34,43,46H,7,23-25H2,1-6H3;6,9,14,16-17,26-27,30H,4-5,7-8,10-13H2,1-3H3,(H2,22,23,29);5H,1-4H2;/p+1/t35-,37?,38-,42+,58?;31-,33?,34-,38+;14-,16?,17-,21+,35?;;/m111../s1.

What are the key properties of S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane?

S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane has a molecular weight of 2407.35 g/mol, XLogP of 15.94, 46 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for S-[2-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylbutanoylsulfanyl)ethoxy]-oxophosphanium;S-[2-[[(2R,4S,5R)-5-[4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-2-oxopyrimidin-1-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-pyrrolidin-1-ylphosphoryl]oxyethyl] 2,2-dimethylbutanethioate;pyrrolidine;tetrachloromethane is sourced from PubChem (CID 159477505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).