[(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate

C135H246N16O33P4 — CID 159407551

About [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate

[(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate (PubChem CID 159407551) has the molecular formula C135H246N16O33P4 and a molecular weight of 2745.43 g/mol. Its IUPAC name is [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate
• PubChem CID: 159407551
• Molecular Formula: C135H246N16O33P4
• Molecular Weight: 2745.43 g/mol
• Exact Mass: 2743.70
• IUPAC Name: [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate
• SMILES: CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N(C(C)C)C(C)C)nc2=O)C(O)[C@H]1O.CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N(CCCC)CCCC)nc2=O)C(O)[C@H]1O.CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N3CCCCC3)nc2=O)C(O)[C@H]1O.CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N3CCOCC3)nc2=O)C(O)[C@H]1O
• InChI: InChI=1S/C36H67N4O8P.C34H63N4O8P.C33H59N4O8P.C32H57N4O9P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-46-49(44,45)47-29-31-33(41)34(42)35(48-31)40-27-24-32(38-36(40)43)37-30-39(25-8-5-2)26-9-6-3;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-44-47(42,43)45-25-29-31(39)32(40)33(46-29)37-23-22-30(36-34(37)41)35-26-38(27(2)3)28(4)5;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-43-46(41,42)44-26-28-30(38)31(39)32(45-28)37-24-21-29(35-33(37)40)34-27-36-22-18-17-19-23-36;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-43-46(40,41)44-25-27-29(37)30(38)31(45-27)36-19-18-28(34-32(36)39)33-26-35-20-23-42-24-21-35/h24,27,30-31,33-35,41-42H,4-23,25-26,28-29H2,1-3H3,(H,44,45);22-23,26-29,31-33,39-40H,6-21,24-25H2,1-5H3,(H,42,43);21,24,27-28,30-32,38-39H,2-20,22-23,25-26H2,1H3,(H,41,42);18-19,26-27,29-31,37-38H,2-17,20-25H2,1H3,(H,40,41)/b37-30+;35-26+;34-27+;33-26+/t31-,33+,34?,35-;29-,31+,32?,33-;28-,30+,31?,32-;27-,29+,30?,31-/m1111/s1
• InChIKey: LODRDXGMOSLHKU-FKIWZDCRSA-N
• XLogP: 26.51
• TPSA: 632.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 104
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2745.43
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate?

The IUPAC name of [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate (CID 159407551) is [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate.

What is the SMILES notation for [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate?

The canonical SMILES for [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate is CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N(C(C)C)C(C)C)nc2=O)C(O)[C@H]1O.CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N(CCCC)CCCC)nc2=O)C(O)[C@H]1O.CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N3CCCCC3)nc2=O)C(O)[C@H]1O.CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(/N=C/N3CCOCC3)nc2=O)C(O)[C@H]1O.

What is the InChIKey of [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate?

The InChIKey is LODRDXGMOSLHKU-FKIWZDCRSA-N. The full InChI is InChI=1S/C36H67N4O8P.C34H63N4O8P.C33H59N4O8P.C32H57N4O9P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-46-49(44,45)47-29-31-33(41)34(42)35(48-31)40-27-24-32(38-36(40)43)37-30-39(25-8-5-2)26-9-6-3;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-44-47(42,43)45-25-29-31(39)32(40)33(46-29)37-23-22-30(36-34(37)41)35-26-38(27(2)3)28(4)5;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-43-46(41,42)44-26-28-30(38)31(39)32(45-28)37-24-21-29(35-33(37)40)34-27-36-22-18-17-19-23-36;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-43-46(40,41)44-25-27-29(37)30(38)31(45-27)36-19-18-28(34-32(36)39)33-26-35-20-23-42-24-21-35/h24,27,30-31,33-35,41-42H,4-23,25-26,28-29H2,1-3H3,(H,44,45);22-23,26-29,31-33,39-40H,6-21,24-25H2,1-5H3,(H,42,43);21,24,27-28,30-32,38-39H,2-20,22-23,25-26H2,1H3,(H,41,42);18-19,26-27,29-31,37-38H,2-17,20-25H2,1H3,(H,40,41)/b37-30+;35-26+;34-27+;33-26+/t31-,33+,34?,35-;29-,31+,32?,33-;28-,30+,31?,32-;27-,29+,30?,31-/m1111/s1.

What are the key properties of [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate?

[(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate has a molecular weight of 2745.43 g/mol, XLogP of 26.51, 104 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-5-[4-[(dibutylamino)methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[4-(morpholin-4-ylmethylideneamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-3,4-dihydroxy-5-[2-oxo-4-(piperidin-1-ylmethylideneamino)pyrimidin-1-yl]oxolan-2-yl]methyl octadecyl hydrogen phosphate;[(2R,3R,5R)-5-[4-[[di(propan-2-yl)amino]methylideneamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate is sourced from PubChem (CID 159407551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).