acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid

C20H34N6O17 — CID 69287765

About acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid

acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid (PubChem CID 69287765) has the molecular formula C20H34N6O17 and a molecular weight of 630.52 g/mol. Its IUPAC name is acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid.

Molecular Properties

• Compound Name: acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid
• PubChem CID: 69287765
• Molecular Formula: C20H34N6O17
• Molecular Weight: 630.52 g/mol
• Exact Mass: 630.20
• IUPAC Name: acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=[N+]([O-])O
• InChI: InChI=1S/C10H13N5O4.5C2H4O2.HNO3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;5*1-2(3)4;2-1(3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);5*1H3,(H,3,4);(H,2,3,4)/t4-,6-,7-,10-;;;;;;/m1....../s1
• InChIKey: IBFPCMVEBYNLNH-QCSRICIXSA-N
• XLogP: -1.87
• TPSA: 389.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	630.52
LogP ≤ 5	-1.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid?

The IUPAC name of acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid (CID 69287765) is acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid.

What is the SMILES notation for acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid?

The canonical SMILES for acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=[N+]([O-])O.

What is the InChIKey of acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid?

The InChIKey is IBFPCMVEBYNLNH-QCSRICIXSA-N. The full InChI is InChI=1S/C10H13N5O4.5C2H4O2.HNO3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;5*1-2(3)4;2-1(3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);5*1H3,(H,3,4);(H,2,3,4)/t4-,6-,7-,10-;;;;;;/m1....../s1.

What are the key properties of acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid?

acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid has a molecular weight of 630.52 g/mol, XLogP of -1.87, 2 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;nitric acid is sourced from PubChem (CID 69287765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).