4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one

C10H15N3O6 — CID 10540173

About 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one

4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one (PubChem CID 10540173) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
• PubChem CID: 10540173
• Molecular Formula: C10H15N3O6
• Molecular Weight: 273.25 g/mol
• Exact Mass: 273.10
• IUPAC Name: 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
• SMILES: O=c1nc(NO)c(CO)cn1[C@H]1C[C@H](O)[C@@H](CO)O1
• InChI: InChI=1S/C10H15N3O6/c14-3-5-2-13(10(17)11-9(5)12-18)8-1-6(16)7(4-15)19-8/h2,6-8,14-16,18H,1,3-4H2,(H,11,12,17)/t6-,7+,8+/m0/s1
• InChIKey: WYZXKDZCZDBBDK-XLPZGREQSA-N
• XLogP: -1.82
• TPSA: 137.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.25
LogP ≤ 5	-1.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?

The IUPAC name of 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one (CID 10540173) is 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one.

What is the SMILES notation for 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?

The canonical SMILES for 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one is O=c1nc(NO)c(CO)cn1[C@H]1C[C@H](O)[C@@H](CO)O1.

What is the InChIKey of 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?

The InChIKey is WYZXKDZCZDBBDK-XLPZGREQSA-N. The full InChI is InChI=1S/C10H15N3O6/c14-3-5-2-13(10(17)11-9(5)12-18)8-1-6(16)7(4-15)19-8/h2,6-8,14-16,18H,1,3-4H2,(H,11,12,17)/t6-,7+,8+/m0/s1.

What are the key properties of 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?

4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one has a molecular weight of 273.25 g/mol, XLogP of -1.82, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 10540173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).