5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one

C40H55Cl2N4O38P7 — CID 159516495

About 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one

5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one (PubChem CID 159516495) has the molecular formula C40H55Cl2N4O38P7 and a molecular weight of 1487.59 g/mol. Its IUPAC name is 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one
• PubChem CID: 159516495
• Molecular Formula: C40H55Cl2N4O38P7
• Molecular Weight: 1487.59 g/mol
• Exact Mass: 1486.00
• IUPAC Name: 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one
• SMILES: O=c1ccc([C@@H]2O[C@H](CO)[C@H](O)C2O)c[nH]1.O=c1ccc([C@@H]2O[C@H](COP(=O)(Cl)Cl)[C@H](O)C2O)c[nH]1.O=c1ccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c[nH]1.O=c1ccc([C@@H]2O[C@H](COP3(=O)OP(=O)(O)OP(=O)(O)O3)[C@H](O)C2O)c[nH]1
• InChI: InChI=1S/C10H12Cl2NO6P.C10H16NO14P3.C10H14NO13P3.C10H13NO5/c11-20(12,17)18-4-6-8(15)9(16)10(19-6)5-1-2-7(14)13-3-5;12-7-2-1-5(3-11-7)10-9(14)8(13)6(23-10)4-22-27(18,19)25-28(20,21)24-26(15,16)17;12-7-2-1-5(3-11-7)10-9(14)8(13)6(21-10)4-20-27(19)23-25(15,16)22-26(17,18)24-27;12-4-6-8(14)9(15)10(16-6)5-1-2-7(13)11-3-5/h1-3,6,8-10,15-16H,4H2,(H,13,14);1-3,6,8-10,13-14H,4H2,(H,11,12)(H,18,19)(H,20,21)(H2,15,16,17);1-3,6,8-10,13-14H,4H2,(H,11,12)(H,15,16)(H,17,18);1-3,6,8-10,12,14-15H,4H2,(H,11,13)/t4*6-,8+,9?,10+/m1111/s1
• InChIKey: MBGNFWGEYZFAPV-DAXQXHHTSA-N
• XLogP: -1.53
• TPSA: 665.14 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1487.59
LogP ≤ 5	-1.53
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

The IUPAC name of 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one (CID 159516495) is 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one is O=c1ccc([C@@H]2O[C@H](CO)[C@H](O)C2O)c[nH]1.O=c1ccc([C@@H]2O[C@H](COP(=O)(Cl)Cl)[C@H](O)C2O)c[nH]1.O=c1ccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c[nH]1.O=c1ccc([C@@H]2O[C@H](COP3(=O)OP(=O)(O)OP(=O)(O)O3)[C@H](O)C2O)c[nH]1.

What is the InChIKey of 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

The InChIKey is MBGNFWGEYZFAPV-DAXQXHHTSA-N. The full InChI is InChI=1S/C10H12Cl2NO6P.C10H16NO14P3.C10H14NO13P3.C10H13NO5/c11-20(12,17)18-4-6-8(15)9(16)10(19-6)5-1-2-7(14)13-3-5;12-7-2-1-5(3-11-7)10-9(14)8(13)6(23-10)4-22-27(18,19)25-28(20,21)24-26(15,16)17;12-7-2-1-5(3-11-7)10-9(14)8(13)6(21-10)4-20-27(19)23-25(15,16)22-26(17,18)24-27;12-4-6-8(14)9(15)10(16-6)5-1-2-7(13)11-3-5/h1-3,6,8-10,15-16H,4H2,(H,13,14);1-3,6,8-10,13-14H,4H2,(H,11,12)(H,18,19)(H,20,21)(H2,15,16,17);1-3,6,8-10,13-14H,4H2,(H,11,12)(H,15,16)(H,17,18);1-3,6,8-10,12,14-15H,4H2,(H,11,13)/t4*6-,8+,9?,10+/m1111/s1.

What are the key properties of 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one?

5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 1487.59 g/mol, XLogP of -1.53, 18 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,4R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one;5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one;[[(2R,3R,5S)-3,4-dihydroxy-5-(6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;5-[(2S,4R,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159516495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).