[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate

C18H30N2O11 — CID 156616040

About [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate (PubChem CID 156616040) has the molecular formula C18H30N2O11 and a molecular weight of 450.44 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate
• PubChem CID: 156616040
• Molecular Formula: C18H30N2O11
• Molecular Weight: 450.44 g/mol
• Exact Mass: 450.18
• IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](COC(C)=O)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@H](O)[C@H]1O
• InChI: InChI=1S/C18H30N2O11/c1-6-13(24)15(26)11(19-7(2)21)18(29-6)31-16-12(20-8(3)22)17(27)30-10(14(16)25)5-28-9(4)23/h6,10-18,24-27H,5H2,1-4H3,(H,19,21)(H,20,22)/t6-,10+,11-,12+,13-,14+,15-,16+,17-,18-/m0/s1
• InChIKey: FMODBGNJAOQGLD-KZIUVPHGSA-N
• XLogP: -3.51
• TPSA: 193.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	450.44
LogP ≤ 5	-3.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate (CID 156616040) is [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate is CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](COC(C)=O)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@H](O)[C@H]1O.

What is the InChIKey of [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate?

The InChIKey is FMODBGNJAOQGLD-KZIUVPHGSA-N. The full InChI is InChI=1S/C18H30N2O11/c1-6-13(24)15(26)11(19-7(2)21)18(29-6)31-16-12(20-8(3)22)17(27)30-10(14(16)25)5-28-9(4)23/h6,10-18,24-27H,5H2,1-4H3,(H,19,21)(H,20,22)/t6-,10+,11-,12+,13-,14+,15-,16+,17-,18-/m0/s1.

What are the key properties of [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate?

[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate has a molecular weight of 450.44 g/mol, XLogP of -3.51, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R,6S)-5-acetamido-4-[(2S,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 156616040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).