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

C16H27NO10 — CID 126592101

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

N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide (PubChem CID 126592101) has the molecular formula C16H27NO10 and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
• PubChem CID: 126592101
• Molecular Formula: C16H27NO10
• Molecular Weight: 393.39 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
• SMILES: CO[C@@H]1OC(CO)[C@@H](O)C(O[C@@H]2OC(C=O)C(C)C(O)C2O)C1NC(C)=O
• InChI: InChI=1S/C16H27NO10/c1-6-8(4-18)25-16(13(23)11(6)21)27-14-10(17-7(2)20)15(24-3)26-9(5-19)12(14)22/h4,6,8-16,19,21-23H,5H2,1-3H3,(H,17,20)/t6?,8?,9?,10?,11?,12-,13?,14?,15-,16+/m1/s1
• InChIKey: UDFSFPBGRCFQNV-LZTNTHRVSA-N
• XLogP: -3.12
• TPSA: 164.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.39
LogP ≤ 5	-3.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide (CID 126592101) is N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide is CO[C@@H]1OC(CO)[C@@H](O)C(O[C@@H]2OC(C=O)C(C)C(O)C2O)C1NC(C)=O.

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

The InChIKey is UDFSFPBGRCFQNV-LZTNTHRVSA-N. The full InChI is InChI=1S/C16H27NO10/c1-6-8(4-18)25-16(13(23)11(6)21)27-14-10(17-7(2)20)15(24-3)26-9(5-19)12(14)22/h4,6,8-16,19,21-23H,5H2,1-3H3,(H,17,20)/t6?,8?,9?,10?,11?,12-,13?,14?,15-,16+/m1/s1.

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

N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide has a molecular weight of 393.39 g/mol, XLogP of -3.12, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,5S)-4-[(2R)-6-formyl-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 126592101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).