5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide

C9H15N5O5 — CID 11043933

About 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide

5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide (PubChem CID 11043933) has the molecular formula C9H15N5O5 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide.

Molecular Properties

• Compound Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide
• PubChem CID: 11043933
• Molecular Formula: C9H15N5O5
• Molecular Weight: 273.25 g/mol
• Exact Mass: 273.11
• IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide
• SMILES: N/C(=N/O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N
• InChI: InChI=1S/C9H15N5O5/c10-7(13-18)4-8(11)14(2-12-4)9-6(17)5(16)3(1-15)19-9/h2-3,5-6,9,15-18H,1,11H2,(H2,10,13)/t3-,5-,6-,9-/m1/s1
• InChIKey: DWVZGPBTFUTAAC-UUOKFMHZSA-N
• XLogP: -2.83
• TPSA: 172.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	273.25
LogP ≤ 5	-2.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide?

The IUPAC name of 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide (CID 11043933) is 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide.

What is the SMILES notation for 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide?

The canonical SMILES for 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide is N/C(=N/O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N.

What is the InChIKey of 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide?

The InChIKey is DWVZGPBTFUTAAC-UUOKFMHZSA-N. The full InChI is InChI=1S/C9H15N5O5/c10-7(13-18)4-8(11)14(2-12-4)9-6(17)5(16)3(1-15)19-9/h2-3,5-6,9,15-18H,1,11H2,(H2,10,13)/t3-,5-,6-,9-/m1/s1.

What are the key properties of 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide?

5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide has a molecular weight of 273.25 g/mol, XLogP of -2.83, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxyimidazole-4-carboximidamide is sourced from PubChem (CID 11043933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).