propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

C83H96Br2F6N9O26P3 — CID 158273325

About propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate (PubChem CID 158273325) has the molecular formula C83H96Br2F6N9O26P3 and a molecular weight of 2002.44 g/mol. Its IUPAC name is propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
• PubChem CID: 158273325
• Molecular Formula: C83H96Br2F6N9O26P3
• Molecular Weight: 2002.44 g/mol
• Exact Mass: 1999.40
• IUPAC Name: propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
• SMILES: C=C1NC(=O)C(Br)=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc3ccccc3c2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2cccc3ccccc23)[C@@H](OC(=O)CC)[C@@]1(C)F.CC(C)OC(=O)C(C)NP(=O)(OC[C@@]1(F)O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1cccc2ccccc12
• InChI: InChI=1S/C30H36F2N3O9P.C27H31BrF2N3O8P.C26H29BrF2N3O9P/c1-7-25(37)42-27-29(6,31)28(35-16-15-24(36)33-20(35)5)43-30(27,32)17-40-45(39,34-19(4)26(38)41-18(2)3)44-23-14-10-12-21-11-8-9-13-22(21)23;1-15(2)39-23(35)16(3)32-42(37,41-20-11-10-18-8-6-7-9-19(18)12-20)38-14-27(30)24(36)26(5,29)25(40-27)33-13-21(28)22(34)31-17(33)4;1-14(2)39-21(34)15(3)31-42(37,41-19-11-7-9-16-8-5-6-10-17(16)19)38-13-26(29)22(35)25(4,28)23(40-26)32-12-18(27)20(33)30-24(32)36/h8-16,18-19,27-28H,5,7,17H2,1-4,6H3,(H,33,36)(H,34,39);6-13,15-16,24-25,36H,4,14H2,1-3,5H3,(H,31,34)(H,32,37);5-12,14-15,22-23,35H,13H2,1-4H3,(H,31,37)(H,30,33,36)/t19?,27-,28+,29+,30+,45?;16?,24-,25+,26+,27+,42?;15?,22-,23+,25+,26+,42?/m000/s1
• InChIKey: GJHUJZLYDLZDPS-JIJNAWPESA-N
• XLogP: 13.15
• TPSA: 435.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.44
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate?

The IUPAC name of propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate (CID 158273325) is propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate.

What is the SMILES notation for propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate?

The canonical SMILES for propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate is C=C1NC(=O)C(Br)=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccc3ccccc3c2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2cccc3ccccc23)[C@@H](OC(=O)CC)[C@@]1(C)F.CC(C)OC(=O)C(C)NP(=O)(OC[C@@]1(F)O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1cccc2ccccc12.

What is the InChIKey of propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate?

The InChIKey is GJHUJZLYDLZDPS-JIJNAWPESA-N. The full InChI is InChI=1S/C30H36F2N3O9P.C27H31BrF2N3O8P.C26H29BrF2N3O9P/c1-7-25(37)42-27-29(6,31)28(35-16-15-24(36)33-20(35)5)43-30(27,32)17-40-45(39,34-19(4)26(38)41-18(2)3)44-23-14-10-12-21-11-8-9-13-22(21)23;1-15(2)39-23(35)16(3)32-42(37,41-20-11-10-18-8-6-7-9-19(18)12-20)38-14-27(30)24(36)26(5,29)25(40-27)33-13-21(28)22(34)31-17(33)4;1-14(2)39-21(34)15(3)31-42(37,41-19-11-7-9-16-8-5-6-10-17(16)19)38-13-26(29)22(35)25(4,28)23(40-26)32-12-18(27)20(33)30-24(32)36/h8-16,18-19,27-28H,5,7,17H2,1-4,6H3,(H,33,36)(H,34,39);6-13,15-16,24-25,36H,4,14H2,1-3,5H3,(H,31,34)(H,32,37);5-12,14-15,22-23,35H,13H2,1-4H3,(H,31,37)(H,30,33,36)/t19?,27-,28+,29+,30+,45?;16?,24-,25+,26+,27+,42?;15?,22-,23+,25+,26+,42?/m000/s1.

What are the key properties of propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate?

propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate has a molecular weight of 2002.44 g/mol, XLogP of 13.15, 32 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-5-(5-bromo-2-methylidene-4-oxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-3-propanoyloxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate is sourced from PubChem (CID 158273325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).