1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid

C20H28N3O11P3 — CID 142312185

About 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid

1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid (PubChem CID 142312185) has the molecular formula C20H28N3O11P3 and a molecular weight of 579.38 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid.

Molecular Properties

• Compound Name: 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid
• PubChem CID: 142312185
• Molecular Formula: C20H28N3O11P3
• Molecular Weight: 579.38 g/mol
• Exact Mass: 579.09
• IUPAC Name: 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid
• SMILES: O=PO.O=c1ccn(C2OC(CCO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)o1.OP.OP
• InChI: InChI=1S/C20H21N3O7.HO2P.2H3OP/c24-9-7-14-16(26)17(27)19(30-14)22-8-6-15(25)23(20(22)28)11-13-10-21-18(29-13)12-4-2-1-3-5-12;1-3-2;2*1-2/h1-6,8,10,14,16-17,19,24,26-27H,7,9,11H2;(H,1,2);2*1H,2H2
• InChIKey: UUJMRGIRTFLDTA-UHFFFAOYSA-N
• XLogP: -0.56
• TPSA: 217.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	579.38
LogP ≤ 5	-0.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid?

The IUPAC name of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid (CID 142312185) is 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid.

What is the SMILES notation for 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid?

The canonical SMILES for 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid is O=PO.O=c1ccn(C2OC(CCO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)o1.OP.OP.

What is the InChIKey of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid?

The InChIKey is UUJMRGIRTFLDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O7.HO2P.2H3OP/c24-9-7-14-16(26)17(27)19(30-14)22-8-6-15(25)23(20(22)28)11-13-10-21-18(29-13)12-4-2-1-3-5-12;1-3-2;2*1-2/h1-6,8,10,14,16-17,19,24,26-27H,7,9,11H2;(H,1,2);2*1H,2H2.

What are the key properties of 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid?

1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid has a molecular weight of 579.38 g/mol, XLogP of -0.56, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid is sourced from PubChem (CID 142312185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).