N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide

C25H43N5O10 — CID 11028213

About N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide

N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide (PubChem CID 11028213) has the molecular formula C25H43N5O10 and a molecular weight of 573.64 g/mol. Its IUPAC name is N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide
• PubChem CID: 11028213
• Molecular Formula: C25H43N5O10
• Molecular Weight: 573.64 g/mol
• Exact Mass: 573.30
• IUPAC Name: N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide
• SMILES: CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3OC(CNC(C)=O)=CC[C@@H]3NC(C)=O)[C@@H](NC(C)=O)C[C@H]2N)OC[C@]1(C)O
• InChI: InChI=1S/C25H43N5O10/c1-11(31)28-9-14-6-7-16(29-12(2)32)23(38-14)40-21-17(30-13(3)33)8-15(26)20(18(21)34)39-24-19(35)22(27-5)25(4,36)10-37-24/h6,15-24,27,34-36H,7-10,26H2,1-5H3,(H,28,31)(H,29,32)(H,30,33)/t15-,16+,17+,18-,19-,20+,21-,22-,23+,24-,25+/m1/s1
• InChIKey: NOAMFHKALIVJTE-GKPPWRQYSA-N
• XLogP: -3.32
• TPSA: 222.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	573.64
LogP ≤ 5	-3.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide?

The IUPAC name of N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide (CID 11028213) is N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide.

What is the SMILES notation for N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide?

The canonical SMILES for N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide is CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3OC(CNC(C)=O)=CC[C@@H]3NC(C)=O)[C@@H](NC(C)=O)C[C@H]2N)OC[C@]1(C)O.

What is the InChIKey of N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide?

The InChIKey is NOAMFHKALIVJTE-GKPPWRQYSA-N. The full InChI is InChI=1S/C25H43N5O10/c1-11(31)28-9-14-6-7-16(29-12(2)32)23(38-14)40-21-17(30-13(3)33)8-15(26)20(18(21)34)39-24-19(35)22(27-5)25(4,36)10-37-24/h6,15-24,27,34-36H,7-10,26H2,1-5H3,(H,28,31)(H,29,32)(H,30,33)/t15-,16+,17+,18-,19-,20+,21-,22-,23+,24-,25+/m1/s1.

What are the key properties of N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide?

N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide has a molecular weight of 573.64 g/mol, XLogP of -3.32, 9 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3S)-3-acetamido-2-[(1R,2R,3S,4R,6S)-6-acetamido-4-amino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-6-yl]methyl]acetamide is sourced from PubChem (CID 11028213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).