[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate

C20H32N4O10 — CID 91370311

About [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate (PubChem CID 91370311) has the molecular formula C20H32N4O10 and a molecular weight of 488.49 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate
• PubChem CID: 91370311
• Molecular Formula: C20H32N4O10
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.21
• IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate
• SMILES: CC(C)[C@H](N)C(=O)O[C@H]1[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1COC1O[C@H](CO)[C@@H](O)[C@@]1(C)O
• InChI: InChI=1S/C20H32N4O10/c1-8(2)12(22)17(28)34-14-10(7-31-18-20(3,30)15(27)9(6-25)33-18)32-16(13(14)26)24-5-4-11(21)23-19(24)29/h4-5,8-10,12-16,18,25-27,30H,6-7,22H2,1-3H3,(H2,21,23,29)/t9-,10-,12+,13-,14-,15-,16-,18?,20-/m1/s1
• InChIKey: LKVANKZFPLTXSR-XLBPPTIUSA-N
• XLogP: -3.18
• TPSA: 221.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	488.49
LogP ≤ 5	-3.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate?

The IUPAC name of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate (CID 91370311) is [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate.

What is the SMILES notation for [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate?

The canonical SMILES for [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)O[C@H]1[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1COC1O[C@H](CO)[C@@H](O)[C@@]1(C)O.

What is the InChIKey of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate?

The InChIKey is LKVANKZFPLTXSR-XLBPPTIUSA-N. The full InChI is InChI=1S/C20H32N4O10/c1-8(2)12(22)17(28)34-14-10(7-31-18-20(3,30)15(27)9(6-25)33-18)32-16(13(14)26)24-5-4-11(21)23-19(24)29/h4-5,8-10,12-16,18,25-27,30H,6-7,22H2,1-3H3,(H2,21,23,29)/t9-,10-,12+,13-,14-,15-,16-,18?,20-/m1/s1.

What are the key properties of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate?

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 488.49 g/mol, XLogP of -3.18, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]oxymethyl]-4-hydroxyoxolan-3-yl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 91370311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).