[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate

C19H27N3O12P- — CID 59163230

About [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate

[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate (PubChem CID 59163230) has the molecular formula C19H27N3O12P- and a molecular weight of 520.41 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate.

Molecular Properties

• Compound Name: [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate
• PubChem CID: 59163230
• Molecular Formula: C19H27N3O12P-
• Molecular Weight: 520.41 g/mol
• Exact Mass: 520.13
• IUPAC Name: [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate
• SMILES: C[C@@H]1C=C/C(=C\OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(O)[C@H]2O)OC1[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C19H28N3O12P/c1-9-2-3-10(33-17(9)14(25)11(24)6-23)7-31-35(29,30)32-8-12-15(26)16(27)18(34-12)22-5-4-13(20)21-19(22)28/h2-5,7,9,11-12,14-18,23-27H,6,8H2,1H3,(H,29,30)(H2,20,21,28)/p-1/b10-7+/t9-,11-,12-,14-,15+,16?,17?,18-/m1/s1
• InChIKey: ZMSWIXREVNKAGD-TUYDZFPPSA-M
• XLogP: -2.91
• TPSA: 239.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	520.41
LogP ≤ 5	-2.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate?

The IUPAC name of [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate (CID 59163230) is [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate.

What is the SMILES notation for [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate?

The canonical SMILES for [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate is C[C@@H]1C=C/C(=C\OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(O)[C@H]2O)OC1[C@H](O)[C@H](O)CO.

What is the InChIKey of [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate?

The InChIKey is ZMSWIXREVNKAGD-TUYDZFPPSA-M. The full InChI is InChI=1S/C19H28N3O12P/c1-9-2-3-10(33-17(9)14(25)11(24)6-23)7-31-35(29,30)32-8-12-15(26)16(27)18(34-12)22-5-4-13(20)21-19(22)28/h2-5,7,9,11-12,14-18,23-27H,6,8H2,1H3,(H,29,30)(H2,20,21,28)/p-1/b10-7+/t9-,11-,12-,14-,15+,16?,17?,18-/m1/s1.

What are the key properties of [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate?

[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate has a molecular weight of 520.41 g/mol, XLogP of -2.91, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(E)-[(3R)-3-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-ylidene]methyl] phosphate is sourced from PubChem (CID 59163230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).