(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H23N7O4 — CID 11726345

About (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11726345) has the molecular formula C15H23N7O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• PubChem CID: 11726345
• Molecular Formula: C15H23N7O4
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.18
• IUPAC Name: (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• SMILES: CCCC/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
• InChI: InChI=1S/C15H23N7O4/c1-2-3-4-5-18-21-15-19-12(16)9-13(20-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h5,7-8,10-11,14,23-25H,2-4,6H2,1H3,(H3,16,19,20,21)/b18-5+/t8-,10-,11-,14-/m1/s1
• InChIKey: XUGUNBSDVQONTG-MWVSPYMXSA-N
• XLogP: -0.39
• TPSA: 163.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11726345) is (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is CCCC/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.

What is the InChIKey of (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The InChIKey is XUGUNBSDVQONTG-MWVSPYMXSA-N. The full InChI is InChI=1S/C15H23N7O4/c1-2-3-4-5-18-21-15-19-12(16)9-13(20-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h5,7-8,10-11,14,23-25H,2-4,6H2,1H3,(H3,16,19,20,21)/b18-5+/t8-,10-,11-,14-/m1/s1.

What are the key properties of (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 365.39 g/mol, XLogP of -0.39, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-pentylidenehydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11726345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).