N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C18H30N2O12 — CID 134737071

About N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 134737071) has the molecular formula C18H30N2O12 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 134737071
• Molecular Formula: C18H30N2O12
• Molecular Weight: 466.44 g/mol
• Exact Mass: 466.18
• IUPAC Name: N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](OCC=O)O[C@H]2CO)O[C@@H](CO)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C18H30N2O12/c1-7(24)19-11-14(27)13(26)9(5-22)30-18(11)32-16-10(6-23)31-17(29-4-3-21)12(15(16)28)20-8(2)25/h3,9-18,22-23,26-28H,4-6H2,1-2H3,(H,19,24)(H,20,25)/t9-,10-,11-,12-,13+,14-,15-,16-,17-,18+/m0/s1
• InChIKey: HYNRGMFOPBCTJM-HPSMHGLRSA-N
• XLogP: -4.89
• TPSA: 213.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	466.44
LogP ≤ 5	-4.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 134737071) is N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](OCC=O)O[C@H]2CO)O[C@@H](CO)[C@@H](O)[C@H]1O.

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

The InChIKey is HYNRGMFOPBCTJM-HPSMHGLRSA-N. The full InChI is InChI=1S/C18H30N2O12/c1-7(24)19-11-14(27)13(26)9(5-22)30-18(11)32-16-10(6-23)31-17(29-4-3-21)12(15(16)28)20-8(2)25/h3,9-18,22-23,26-28H,4-6H2,1-2H3,(H,19,24)(H,20,25)/t9-,10-,11-,12-,13+,14-,15-,16-,17-,18+/m0/s1.

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

N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 466.44 g/mol, XLogP of -4.89, 9 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-oxoethoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134737071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).