[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium

C16H31N2O9+ — CID 58312019

About [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium

[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium (PubChem CID 58312019) has the molecular formula C16H31N2O9+ and a molecular weight of 395.43 g/mol. Its IUPAC name is [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium.

Molecular Properties

• Compound Name: [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium
• PubChem CID: 58312019
• Molecular Formula: C16H31N2O9+
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.20
• IUPAC Name: [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium
• SMILES: COC1OC(CO)C(OC2OC(CO)C(C)C(O)C2[NH3+])C(O)C1NC(C)=O
• InChI: InChI=1S/C16H30N2O9/c1-6-8(4-19)25-15(10(17)12(6)22)27-14-9(5-20)26-16(24-3)11(13(14)23)18-7(2)21/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/p+1
• InChIKey: PIGLAZYOJHKABV-UHFFFAOYSA-O
• XLogP: -4.07
• TPSA: 174.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	-4.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium?

The IUPAC name of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium (CID 58312019) is [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium.

What is the SMILES notation for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium?

The canonical SMILES for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium is COC1OC(CO)C(OC2OC(CO)C(C)C(O)C2[NH3+])C(O)C1NC(C)=O.

What is the InChIKey of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium?

The InChIKey is PIGLAZYOJHKABV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30N2O9/c1-6-8(4-19)25-15(10(17)12(6)22)27-14-9(5-20)26-16(24-3)11(13(14)23)18-7(2)21/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/p+1.

What are the key properties of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium?

[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium has a molecular weight of 395.43 g/mol, XLogP of -4.07, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]azanium is sourced from PubChem (CID 58312019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).