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

C25H48N6O10 — CID 146264312

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

4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide (PubChem CID 146264312) has the molecular formula C25H48N6O10 and a molecular weight of 592.69 g/mol. Its IUPAC name is 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide.

Molecular Properties

• Compound Name: 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide
• PubChem CID: 146264312
• Molecular Formula: C25H48N6O10
• Molecular Weight: 592.69 g/mol
• Exact Mass: 592.34
• IUPAC Name: 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide
• SMILES: CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](NC(=O)C(O)C(O)CN)C[C@H](N)C(C3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
• InChI: InChI=1S/C25H48N6O10/c1-25(38)10-39-24(19(36)22(25)29-2)41-21-14(31-23(37)17(34)15(33)8-26)7-13(28)16(18(21)35)20-12(27)4-3-11(40-20)9-30-5-6-32/h3,12-22,24,29-30,32-36,38H,4-10,26-28H2,1-2H3,(H,31,37)/t12-,13+,14-,15?,16?,17?,18+,19-,20?,21+,22-,24-,25+/m1/s1
• InChIKey: SYNRSBSWYXOGLI-UIWOJRHHSA-N
• XLogP: -6.12
• TPSA: 280.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	592.69
LogP ≤ 5	-6.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide (CID 146264312) is 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide.

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

The canonical SMILES for 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide is CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](NC(=O)C(O)C(O)CN)C[C@H](N)C(C3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O.

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

The InChIKey is SYNRSBSWYXOGLI-UIWOJRHHSA-N. The full InChI is InChI=1S/C25H48N6O10/c1-25(38)10-39-24(19(36)22(25)29-2)41-21-14(31-23(37)17(34)15(33)8-26)7-13(28)16(18(21)35)20-12(27)4-3-11(40-20)9-30-5-6-32/h3,12-22,24,29-30,32-36,38H,4-10,26-28H2,1-2H3,(H,31,37)/t12-,13+,14-,15?,16?,17?,18+,19-,20?,21+,22-,24-,25+/m1/s1.

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

4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide has a molecular weight of 592.69 g/mol, XLogP of -6.12, 12 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[(1R,2S,3S,5S)-5-amino-4-[(2R,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3-dihydroxybutanamide is sourced from PubChem (CID 146264312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).