(2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide

C26H51N5O10 — CID 71288096

About (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide

(2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide (PubChem CID 71288096) has the molecular formula C26H51N5O10 and a molecular weight of 593.72 g/mol. Its IUPAC name is (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
• PubChem CID: 71288096
• Molecular Formula: C26H51N5O10
• Molecular Weight: 593.72 g/mol
• Exact Mass: 593.36
• IUPAC Name: (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
• SMILES: C[C@@H](CO)CNC[C@@H]1CCC(N)[C@@H](OC2C(O)C(O[C@H]3OCC(C)(O)[C@H](C)C3O)[C@H](NC(=O)[C@@H](O)CN)C[C@@H]2N)O1
• InChI: InChI=1S/C26H51N5O10/c1-12(10-32)8-30-9-14-4-5-15(28)24(39-14)40-21-16(29)6-17(31-23(36)18(33)7-27)22(20(21)35)41-25-19(34)13(2)26(3,37)11-38-25/h12-22,24-25,30,32-35,37H,4-11,27-29H2,1-3H3,(H,31,36)/t12-,13-,14+,15?,16+,17-,18+,19?,20?,21?,22?,24-,25-,26?/m1/s1
• InChIKey: KTWRTCJWXJHSCJ-VWBIKUCASA-N
• XLogP: -4.19
• TPSA: 257.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	593.72
LogP ≤ 5	-4.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide?

The IUPAC name of (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide (CID 71288096) is (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide.

What is the SMILES notation for (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide?

The canonical SMILES for (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide is C[C@@H](CO)CNC[C@@H]1CCC(N)[C@@H](OC2C(O)C(O[C@H]3OCC(C)(O)[C@H](C)C3O)[C@H](NC(=O)[C@@H](O)CN)C[C@@H]2N)O1.

What is the InChIKey of (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide?

The InChIKey is KTWRTCJWXJHSCJ-VWBIKUCASA-N. The full InChI is InChI=1S/C26H51N5O10/c1-12(10-32)8-30-9-14-4-5-15(28)24(39-14)40-21-16(29)6-17(31-23(36)18(33)7-27)22(20(21)35)41-25-19(34)13(2)26(3,37)11-38-25/h12-22,24-25,30,32-35,37H,4-11,27-29H2,1-3H3,(H,31,36)/t12-,13-,14+,15?,16+,17-,18+,19?,20?,21?,22?,24-,25-,26?/m1/s1.

What are the key properties of (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide?

(2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide has a molecular weight of 593.72 g/mol, XLogP of -4.19, 12 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-amino-N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[[(2R)-3-hydroxy-2-methylpropyl]amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide is sourced from PubChem (CID 71288096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).