[2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate

C26H44N6O11 — CID 123479492

About [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate

[2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate (PubChem CID 123479492) has the molecular formula C26H44N6O11 and a molecular weight of 616.67 g/mol. Its IUPAC name is [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate.

Molecular Properties

• Compound Name: [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate
• PubChem CID: 123479492
• Molecular Formula: C26H44N6O11
• Molecular Weight: 616.67 g/mol
• Exact Mass: 616.31
• IUPAC Name: [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate
• SMILES: CC(=O)NC1C(OC2OC(C(=O)ONNc3ccccc3N)C(OC(C)(C)N)C(O)C2O)C(O)C(CO)OC1C(C)(C)N
• InChI: InChI=1S/C26H44N6O11/c1-11(34)30-15-19(16(35)14(10-33)39-22(15)25(2,3)28)40-24-18(37)17(36)20(42-26(4,5)29)21(41-24)23(38)43-32-31-13-9-7-6-8-12(13)27/h6-9,14-22,24,31-33,35-37H,10,27-29H2,1-5H3,(H,30,34)
• InChIKey: BAQLUZKMZITMQR-UHFFFAOYSA-N
• XLogP: -3.08
• TPSA: 275.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.67
LogP ≤ 5	-3.08
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate?

The IUPAC name of [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate (CID 123479492) is [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate.

What is the SMILES notation for [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate?

The canonical SMILES for [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate is CC(=O)NC1C(OC2OC(C(=O)ONNc3ccccc3N)C(OC(C)(C)N)C(O)C2O)C(O)C(CO)OC1C(C)(C)N.

What is the InChIKey of [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate?

The InChIKey is BAQLUZKMZITMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N6O11/c1-11(34)30-15-19(16(35)14(10-33)39-22(15)25(2,3)28)40-24-18(37)17(36)20(42-26(4,5)29)21(41-24)23(38)43-32-31-13-9-7-6-8-12(13)27/h6-9,14-22,24,31-33,35-37H,10,27-29H2,1-5H3,(H,30,34).

What are the key properties of [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate?

[2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate has a molecular weight of 616.67 g/mol, XLogP of -3.08, 11 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-aminophenyl)hydrazinyl] 6-[3-acetamido-2-(2-aminopropan-2-yl)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-(2-aminopropan-2-yloxy)-4,5-dihydroxyoxane-2-carboxylate is sourced from PubChem (CID 123479492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).