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

C20H32N4O10 — CID 141083867

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

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate (PubChem CID 141083867) has the molecular formula C20H32N4O10 and a molecular weight of 488.49 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate
• PubChem CID: 141083867
• Molecular Formula: C20H32N4O10
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.21
• IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate
• SMILES: CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@](C2O[C@H](CO)[C@@H](O)[C@H]2O)(n2ccc(N)nc2=O)[C@]1(C)O
• InChI: InChI=1S/C20H32N4O10/c1-8(2)12(22)17(29)33-15-10(7-26)34-20(19(15,3)31,24-5-4-11(21)23-18(24)30)16-14(28)13(27)9(6-25)32-16/h4-5,8-10,12-16,25-28,31H,6-7,22H2,1-3H3,(H2,21,23,30)/t9-,10-,12+,13-,14-,15-,16?,19-,20-/m1/s1
• InChIKey: OEGYUVZFDLNONR-PUACYSNFSA-N
• XLogP: -4.00
• TPSA: 232.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	488.49
LogP ≤ 5	-4.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate (CID 141083867) is [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate.

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

The canonical SMILES for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@](C2O[C@H](CO)[C@@H](O)[C@H]2O)(n2ccc(N)nc2=O)[C@]1(C)O.

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

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

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

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 488.49 g/mol, XLogP of -4.00, 7 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 141083867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).