[(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate

C17H20N4O7 — CID 158778735

About [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate

[(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate (PubChem CID 158778735) has the molecular formula C17H20N4O7 and a molecular weight of 392.37 g/mol. Its IUPAC name is [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate
• PubChem CID: 158778735
• Molecular Formula: C17H20N4O7
• Molecular Weight: 392.37 g/mol
• Exact Mass: 392.13
• IUPAC Name: [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nccc32)C(OC(C)=O)C1OC(C)=O
• InChI: InChI=1S/C17H20N4O7/c1-8(22)25-6-12-14(26-9(2)23)15(27-10(3)24)17(28-12)21-7-20-13-11(21)4-5-19-16(13)18/h4-5,7,12,14-15,17H,6H2,1-3H3,(H2,18,19)/t12-,14?,15?,17-/m1/s1
• InChIKey: IQUMHCQYMZFAAI-IGHZYHEGSA-N
• XLogP: 0.34
• TPSA: 144.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.37
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate?

The IUPAC name of [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate (CID 158778735) is [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate?

The canonical SMILES for [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nccc32)C(OC(C)=O)C1OC(C)=O.

What is the InChIKey of [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate?

The InChIKey is IQUMHCQYMZFAAI-IGHZYHEGSA-N. The full InChI is InChI=1S/C17H20N4O7/c1-8(22)25-6-12-14(26-9(2)23)15(27-10(3)24)17(28-12)21-7-20-13-11(21)4-5-19-16(13)18/h4-5,7,12,14-15,17H,6H2,1-3H3,(H2,18,19)/t12-,14?,15?,17-/m1/s1.

What are the key properties of [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate?

[(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate has a molecular weight of 392.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-3,4-diacetyloxy-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 158778735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).