(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate

C20H24FN5O10 — CID 10625597

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate (PubChem CID 10625597) has the molecular formula C20H24FN5O10 and a molecular weight of 513.44 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate.

Molecular Properties

• Compound Name: (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate
• PubChem CID: 10625597
• Molecular Formula: C20H24FN5O10
• Molecular Weight: 513.44 g/mol
• Exact Mass: 513.15
• IUPAC Name: (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate
• SMILES: O=C(CCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O)Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
• InChI: InChI=1S/C20H24FN5O10/c21-10-7-25(19(33)24-17(10)32)9-35-14(29)4-2-1-3-13(28)22-12-5-6-26(20(34)23-12)18-16(31)15(30)11(8-27)36-18/h5-7,11,15-16,18,27,30-31H,1-4,8-9H2,(H,24,32,33)(H,22,23,28,34)/t11-,15-,16+,18?/m1/s1
• InChIKey: DLJRAKXAGIQNEP-OVUWLDCISA-N
• XLogP: -2.46
• TPSA: 215.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.44
LogP ≤ 5	-2.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate?

The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate (CID 10625597) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate.

What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate?

The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate is O=C(CCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O)Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1.

What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate?

The InChIKey is DLJRAKXAGIQNEP-OVUWLDCISA-N. The full InChI is InChI=1S/C20H24FN5O10/c21-10-7-25(19(33)24-17(10)32)9-35-14(29)4-2-1-3-13(28)22-12-5-6-26(20(34)23-12)18-16(31)15(30)11(8-27)36-18/h5-7,11,15-16,18,27,30-31H,1-4,8-9H2,(H,24,32,33)(H,22,23,28,34)/t11-,15-,16+,18?/m1/s1.

What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate?

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate has a molecular weight of 513.44 g/mol, XLogP of -2.46, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate is sourced from PubChem (CID 10625597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).