[(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

C15H18FN3O8 — CID 102290076

About [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

[(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate (PubChem CID 102290076) has the molecular formula C15H18FN3O8 and a molecular weight of 387.32 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
• PubChem CID: 102290076
• Molecular Formula: C15H18FN3O8
• Molecular Weight: 387.32 g/mol
• Exact Mass: 387.11
• IUPAC Name: [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@H](n2cc(F)c(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
• InChI: InChI=1S/C15H18FN3O8/c1-6(20)24-5-10-11(25-7(2)21)12(26-8(3)22)14(27-10)19-4-9(16)13(17)18-15(19)23/h4,10-12,14H,5H2,1-3H3,(H2,17,18,23)/t10-,11+,12+,14+/m1/s1
• InChIKey: DCHZIYNXLDDRGG-UHXUPSOCSA-N
• XLogP: -0.71
• TPSA: 149.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.32
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?

The IUPAC name of [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate (CID 102290076) is [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](n2cc(F)c(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.

What is the InChIKey of [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?

The InChIKey is DCHZIYNXLDDRGG-UHXUPSOCSA-N. The full InChI is InChI=1S/C15H18FN3O8/c1-6(20)24-5-10-11(25-7(2)21)12(26-8(3)22)14(27-10)19-4-9(16)13(17)18-15(19)23/h4,10-12,14H,5H2,1-3H3,(H2,17,18,23)/t10-,11+,12+,14+/m1/s1.

What are the key properties of [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?

[(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate has a molecular weight of 387.32 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5S)-3,4-diacetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 102290076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).