[(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium

C24H49N6O10+ — CID 154471719

About [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium

[(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium (PubChem CID 154471719) has the molecular formula C24H49N6O10+ and a molecular weight of 581.69 g/mol. Its IUPAC name is [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium.

Molecular Properties

• Compound Name: [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium
• PubChem CID: 154471719
• Molecular Formula: C24H49N6O10+
• Molecular Weight: 581.69 g/mol
• Exact Mass: 581.35
• IUPAC Name: [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium
• SMILES: C[N+](C)(C(=O)[C@@H](O)CCN)C1CC(N)C(OC2OC(CN)CCC2N)C(O)[C@@H]1OC1OC(CO)C(O)C(N)C1O
• InChI: InChI=1S/C24H49N6O10/c1-30(2,22(36)14(32)5-6-25)13-7-12(28)20(39-23-11(27)4-3-10(8-26)37-23)19(35)21(13)40-24-18(34)16(29)17(33)15(9-31)38-24/h10-21,23-24,31-35H,3-9,25-29H2,1-2H3/q+1/t10?,11?,12?,13?,14-,15?,16?,17?,18?,19?,20?,21+,23?,24?/m0/s1
• InChIKey: DSOSYFJAYVCPIS-XVWBPBDXSA-N
• XLogP: -5.91
• TPSA: 285.24 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	581.69
LogP ≤ 5	-5.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium?

The IUPAC name of [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium (CID 154471719) is [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium.

What is the SMILES notation for [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium?

The canonical SMILES for [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium is C[N+](C)(C(=O)[C@@H](O)CCN)C1CC(N)C(OC2OC(CN)CCC2N)C(O)[C@@H]1OC1OC(CO)C(O)C(N)C1O.

What is the InChIKey of [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium?

The InChIKey is DSOSYFJAYVCPIS-XVWBPBDXSA-N. The full InChI is InChI=1S/C24H49N6O10/c1-30(2,22(36)14(32)5-6-25)13-7-12(28)20(39-23-11(27)4-3-10(8-26)37-23)19(35)21(13)40-24-18(34)16(29)17(33)15(9-31)38-24/h10-21,23-24,31-35H,3-9,25-29H2,1-2H3/q+1/t10?,11?,12?,13?,14-,15?,16?,17?,18?,19?,20?,21+,23?,24?/m0/s1.

What are the key properties of [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium?

[(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium has a molecular weight of 581.69 g/mol, XLogP of -5.91, 10 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-[(2S)-4-amino-2-hydroxybutanoyl]-dimethylazanium is sourced from PubChem (CID 154471719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).