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

C14H26N2O10 — CID 57299997

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

N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide (PubChem CID 57299997) has the molecular formula C14H26N2O10 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
• PubChem CID: 57299997
• Molecular Formula: C14H26N2O10
• Molecular Weight: 382.37 g/mol
• Exact Mass: 382.16
• IUPAC Name: N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@]2(N)O)O[C@H](C)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C14H26N2O10/c1-4-8(19)10(21)7(16-5(2)18)12(24-4)26-13-14(15,23)11(22)9(20)6(3-17)25-13/h4,6-13,17,19-23H,3,15H2,1-2H3,(H,16,18)/t4-,6-,7+,8-,9-,10-,11+,12+,13-,14-/m1/s1
• InChIKey: JGXJPDWSCRDXPU-UBAULUPNSA-N
• XLogP: -4.94
• TPSA: 204.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	382.37
LogP ≤ 5	-4.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide (CID 57299997) is N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide.

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

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

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

The InChIKey is JGXJPDWSCRDXPU-UBAULUPNSA-N. The full InChI is InChI=1S/C14H26N2O10/c1-4-8(19)10(21)7(16-5(2)18)12(24-4)26-13-14(15,23)11(22)9(20)6(3-17)25-13/h4,6-13,17,19-23H,3,15H2,1-2H3,(H,16,18)/t4-,6-,7+,8-,9-,10-,11+,12+,13-,14-/m1/s1.

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

N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide has a molecular weight of 382.37 g/mol, XLogP of -4.94, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-amino-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide is sourced from PubChem (CID 57299997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).