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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide

C25H48FN7O9 — CID 176517243

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide (PubChem CID 176517243) has the molecular formula C25H48FN7O9 and a molecular weight of 609.70 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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide.

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide
• PubChem CID: 176517243
• Molecular Formula: C25H48FN7O9
• Molecular Weight: 609.70 g/mol
• Exact Mass: 609.35
• 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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide
• 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](NC)C1O)C(O)CF
• InChI: InChI=1S/C25H48FN7O9/c1-10(34)21(29)32-8-11-4-5-12(27)23(40-11)41-18-13(28)6-14(33-22(30)15(35)7-26)19(16(18)36)42-24-17(37)20(31-3)25(2,38)9-39-24/h10-20,23-24,31,34-38H,4-9,27-28H2,1-3H3,(H2,29,32)(H2,30,33)/t10?,11-,12?,13-,14+,15?,16?,17?,18?,19?,20+,23+,24+,25?/m0/s1
• InChIKey: CRYHRAOBCHTGTJ-CDEPYMRQSA-N
• XLogP: -4.26
• TPSA: 276.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	609.70
LogP ≤ 5	-4.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide?

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide (CID 176517243) 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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide.

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide?

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide 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](NC)C1O)C(O)CF.

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide?

The InChIKey is CRYHRAOBCHTGTJ-CDEPYMRQSA-N. The full InChI is InChI=1S/C25H48FN7O9/c1-10(34)21(29)32-8-11-4-5-12(27)23(40-11)41-18-13(28)6-14(33-22(30)15(35)7-26)19(16(18)36)42-24-17(37)20(31-3)25(2,38)9-39-24/h10-20,23-24,31,34-38H,4-9,27-28H2,1-3H3,(H2,29,32)(H2,30,33)/t10?,11-,12?,13-,14+,15?,16?,17?,18?,19?,20+,23+,24+,25?/m0/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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide?

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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide has a molecular weight of 609.70 g/mol, XLogP of -4.26, 11 rotatable bonds, 11 hydrogen bond donors, and 14 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-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-fluoro-2-hydroxypropanimidamide is sourced from PubChem (CID 176517243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).