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

C16H31N2O9+ — CID 140889398

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

[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium (PubChem CID 140889398) 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-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium.

Molecular Properties

• Compound Name: [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium
• PubChem CID: 140889398
• Molecular Formula: C16H31N2O9+
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.20
• IUPAC Name: [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium
• SMILES: COC1C(CO)OC(OC2C(CO)OC(C)C(NC(C)=O)C2O)C([NH3+])C1O
• InChI: InChI=1S/C16H30N2O9/c1-6-11(18-7(2)21)13(23)15(9(5-20)25-6)27-16-10(17)12(22)14(24-3)8(4-19)26-16/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/p+1
• InChIKey: IUFDAYJKODBPCE-UHFFFAOYSA-O
• XLogP: -4.28
• 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	-4.28
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-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium?

The IUPAC name of [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium (CID 140889398) is [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium.

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

The canonical SMILES for [2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium is COC1C(CO)OC(OC2C(CO)OC(C)C(NC(C)=O)C2O)C([NH3+])C1O.

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

The InChIKey is IUFDAYJKODBPCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30N2O9/c1-6-11(18-7(2)21)13(23)15(9(5-20)25-6)27-16-10(17)12(22)14(24-3)8(4-19)26-16/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-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium?

[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium has a molecular weight of 395.43 g/mol, XLogP of -4.28, 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-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]azanium is sourced from PubChem (CID 140889398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).