(2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol

C10H13N9O4 — CID 23519643

About (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 23519643) has the molecular formula C10H13N9O4 and a molecular weight of 323.27 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
• PubChem CID: 23519643
• Molecular Formula: C10H13N9O4
• Molecular Weight: 323.27 g/mol
• Exact Mass: 323.11
• IUPAC Name: (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
• SMILES: [N-]=[N+]=N[C@]1(CO)O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C10H13N9O4/c11-6-3-7(16-9(12)15-6)19(2-14-3)8-4(21)5(22)10(1-20,23-8)17-18-13/h2,4-5,8,20-22H,1H2,(H4,11,12,15,16)/t4-,5+,8-,10-/m1/s1
• InChIKey: JPRMZUXBPWCNTE-LRXXKQTNSA-N
• XLogP: -1.76
• TPSA: 214.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	323.27
LogP ≤ 5	-1.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?

The IUPAC name of (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol (CID 23519643) is (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol.

What is the SMILES notation for (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?

The canonical SMILES for (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol is [N-]=[N+]=N[C@]1(CO)O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?

The InChIKey is JPRMZUXBPWCNTE-LRXXKQTNSA-N. The full InChI is InChI=1S/C10H13N9O4/c11-6-3-7(16-9(12)15-6)19(2-14-3)8-4(21)5(22)10(1-20,23-8)17-18-13/h2,4-5,8,20-22H,1H2,(H4,11,12,15,16)/t4-,5+,8-,10-/m1/s1.

What are the key properties of (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol?

(2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 323.27 g/mol, XLogP of -1.76, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 23519643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).