N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide

C16H30N2O9 — CID 59547393

About N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide

N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide (PubChem CID 59547393) has the molecular formula C16H30N2O9 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
• PubChem CID: 59547393
• Molecular Formula: C16H30N2O9
• Molecular Weight: 394.42 g/mol
• Exact Mass: 394.20
• IUPAC Name: N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide
• SMILES: CO[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2NC(C)=O)[C@H](O)C1N
• InChI: InChI=1S/C16H30N2O9/c1-6-8(4-19)25-16(11(12(6)22)18-7(2)21)27-14-9(5-20)26-15(24-3)10(17)13(14)23/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/t6-,8?,9?,10?,11?,12-,13+,14-,15+,16-/m0/s1
• InChIKey: HLVRXWLSSOXRSG-AFHHSYKPSA-N
• XLogP: -3.36
• TPSA: 172.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.42
LogP ≤ 5	-3.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?

The IUPAC name of N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide (CID 59547393) is N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide.

What is the SMILES notation for N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?

The canonical SMILES for N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide is CO[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](C)[C@H](O)C2NC(C)=O)[C@H](O)C1N.

What is the InChIKey of N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?

The InChIKey is HLVRXWLSSOXRSG-AFHHSYKPSA-N. The full InChI is InChI=1S/C16H30N2O9/c1-6-8(4-19)25-16(11(12(6)22)18-7(2)21)27-14-9(5-20)26-15(24-3)10(17)13(14)23/h6,8-16,19-20,22-23H,4-5,17H2,1-3H3,(H,18,21)/t6-,8?,9?,10?,11?,12-,13+,14-,15+,16-/m0/s1.

What are the key properties of N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide?

N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide has a molecular weight of 394.42 g/mol, XLogP of -3.36, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,4S,5R)-2-[(3R,4R,6R)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-3-yl]acetamide is sourced from PubChem (CID 59547393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).