(2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide

C26H50N4O11 — CID 71288073

About (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide

(2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide (PubChem CID 71288073) has the molecular formula C26H50N4O11 and a molecular weight of 594.70 g/mol. Its IUPAC name is (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide.

Molecular Properties

• Compound Name: (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide
• PubChem CID: 71288073
• Molecular Formula: C26H50N4O11
• Molecular Weight: 594.70 g/mol
• Exact Mass: 594.35
• IUPAC Name: (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide
• SMILES: C[C@@H]1C(O)[C@@H](OC2C(O)C(O[C@H]3O[C@H](CCCCO)CCC3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)[C@@H](O)CN)OCC1(C)O
• InChI: InChI=1S/C26H50N4O11/c1-12-18(33)25(38-11-26(12,2)37)41-22-16(30-23(36)19(34)17(32)10-27)9-15(29)21(20(22)35)40-24-14(28)7-6-13(39-24)5-3-4-8-31/h12-22,24-25,31-35,37H,3-11,27-29H2,1-2H3,(H,30,36)/t12-,13-,14?,15+,16-,17+,18?,19+,20?,21?,22?,24-,25-,26?/m1/s1
• InChIKey: WZAIYFOSKJTODX-QRECGEJJSA-N
• XLogP: -3.89
• TPSA: 265.46 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	594.70
LogP ≤ 5	-3.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide (CID 71288073) is (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide.

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

The canonical SMILES for (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide is C[C@@H]1C(O)[C@@H](OC2C(O)C(O[C@H]3O[C@H](CCCCO)CCC3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)[C@@H](O)CN)OCC1(C)O.

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

The InChIKey is WZAIYFOSKJTODX-QRECGEJJSA-N. The full InChI is InChI=1S/C26H50N4O11/c1-12-18(33)25(38-11-26(12,2)37)41-22-16(30-23(36)19(34)17(32)10-27)9-15(29)21(20(22)35)40-24-14(28)7-6-13(39-24)5-3-4-8-31/h12-22,24-25,31-35,37H,3-11,27-29H2,1-2H3,(H,30,36)/t12-,13-,14?,15+,16-,17+,18?,19+,20?,21?,22?,24-,25-,26?/m1/s1.

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

(2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide has a molecular weight of 594.70 g/mol, XLogP of -3.89, 12 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-4-amino-N-[(1R,5S)-5-amino-4-[(2R,6R)-3-amino-6-(4-hydroxybutyl)oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide is sourced from PubChem (CID 71288073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).