1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione

C19H22FN2O9P — CID 153341936

About 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione

1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 153341936) has the molecular formula C19H22FN2O9P and a molecular weight of 472.36 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
• PubChem CID: 153341936
• Molecular Formula: C19H22FN2O9P
• Molecular Weight: 472.36 g/mol
• Exact Mass: 472.10
• IUPAC Name: 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
• SMILES: Cc1cc(C)c2c(c1)COP(=O)(OC[C@]1(F)C[C@@H](O)[C@H](n3cc(CO)c(=O)[nH]c3=O)O1)O2
• InChI: InChI=1S/C19H22FN2O9P/c1-10-3-11(2)15-12(4-10)8-28-32(27,31-15)29-9-19(20)5-14(24)17(30-19)22-6-13(7-23)16(25)21-18(22)26/h3-4,6,14,17,23-24H,5,7-9H2,1-2H3,(H,21,25,26)/t14-,17-,19+,32?/m1/s1
• InChIKey: QVCLNCGKISPLCS-KDUZHYBDSA-N
• XLogP: 1.33
• TPSA: 149.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.36
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione (CID 153341936) is 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione is Cc1cc(C)c2c(c1)COP(=O)(OC[C@]1(F)C[C@@H](O)[C@H](n3cc(CO)c(=O)[nH]c3=O)O1)O2.

What is the InChIKey of 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

The InChIKey is QVCLNCGKISPLCS-KDUZHYBDSA-N. The full InChI is InChI=1S/C19H22FN2O9P/c1-10-3-11(2)15-12(4-10)8-28-32(27,31-15)29-9-19(20)5-14(24)17(30-19)22-6-13(7-23)16(25)21-18(22)26/h3-4,6,14,17,23-24H,5,7-9H2,1-2H3,(H,21,25,26)/t14-,17-,19+,32?/m1/s1.

What are the key properties of 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 472.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 153341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).