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

C26H50N6O11 — CID 176524257

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

N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide (PubChem CID 176524257) has the molecular formula C26H50N6O11 and a molecular weight of 622.72 g/mol. Its IUPAC name is N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide.

Molecular Properties

• Compound Name: N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide
• PubChem CID: 176524257
• Molecular Formula: C26H50N6O11
• Molecular Weight: 622.72 g/mol
• Exact Mass: 622.35
• IUPAC Name: N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide
• SMILES: [H]/N=C(/N[C@@H]1C[C@H](N)C(O[C@H]2O[C@H](C/N=C(\N)C(C)O)CCC2N)C(O)C1O[C@H]1OCC(C)(O)[C@H](C)C1O)C(O)C(O)CO
• InChI: InChI=1S/C26H50N6O11/c1-10-17(36)25(40-9-26(10,3)39)43-21-15(32-23(30)18(37)16(35)8-33)6-14(28)20(19(21)38)42-24-13(27)5-4-12(41-24)7-31-22(29)11(2)34/h10-21,24-25,33-39H,4-9,27-28H2,1-3H3,(H2,29,31)(H2,30,32)/t10-,11?,12+,13?,14+,15-,16?,17?,18?,19?,20?,21?,24-,25-,26?/m1/s1
• InChIKey: YCEMNZBTZXZXBP-MGRLQPOCSA-N
• XLogP: -4.83
• TPSA: 304.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	622.72
LogP ≤ 5	-4.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide (CID 176524257) is N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide.

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

The canonical SMILES for N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide is [H]/N=C(/N[C@@H]1C[C@H](N)C(O[C@H]2O[C@H](C/N=C(\N)C(C)O)CCC2N)C(O)C1O[C@H]1OCC(C)(O)[C@H](C)C1O)C(O)C(O)CO.

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

The InChIKey is YCEMNZBTZXZXBP-MGRLQPOCSA-N. The full InChI is InChI=1S/C26H50N6O11/c1-10-17(36)25(40-9-26(10,3)39)43-21-15(32-23(30)18(37)16(35)8-33)6-14(28)20(19(21)38)42-24-13(27)5-4-12(41-24)7-31-22(29)11(2)34/h10-21,24-25,33-39H,4-9,27-28H2,1-3H3,(H2,29,31)(H2,30,32)/t10-,11?,12+,13?,14+,15-,16?,17?,18?,19?,20?,21?,24-,25-,26?/m1/s1.

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

N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide has a molecular weight of 622.72 g/mol, XLogP of -4.83, 11 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5S)-5-amino-4-[(2R,6S)-3-amino-6-[[(1-amino-2-hydroxypropylidene)amino]methyl]oxan-2-yl]oxy-2-[(2R,4R)-3,5-dihydroxy-4,5-dimethyloxan-2-yl]oxy-3-hydroxycyclohexyl]-2,3,4-trihydroxybutanimidamide is sourced from PubChem (CID 176524257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).