pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

C15H22FN3O6 — CID 69347499

About pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 69347499) has the molecular formula C15H22FN3O6 and a molecular weight of 359.35 g/mol. Its IUPAC name is pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

• Compound Name: pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
• PubChem CID: 69347499
• Molecular Formula: C15H22FN3O6
• Molecular Weight: 359.35 g/mol
• Exact Mass: 359.15
• IUPAC Name: pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
• SMILES: CCCC(C)OC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
• InChI: InChI=1S/C15H22FN3O6/c1-4-5-7(2)24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t7?,8-,10?,11?,13-/m1/s1
• InChIKey: PLWCQJXNRMDUDV-FRGRFMGGSA-N
• XLogP: 0.76
• TPSA: 122.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.35
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?

The IUPAC name of pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 69347499) is pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

What is the SMILES notation for pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?

The canonical SMILES for pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CCCC(C)OC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F.

What is the InChIKey of pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?

The InChIKey is PLWCQJXNRMDUDV-FRGRFMGGSA-N. The full InChI is InChI=1S/C15H22FN3O6/c1-4-5-7(2)24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t7?,8-,10?,11?,13-/m1/s1.

What are the key properties of pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?

pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 359.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for pentan-2-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 69347499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).