3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide

C24H44N4O8 — CID 155171763

About 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide

3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide (PubChem CID 155171763) has the molecular formula C24H44N4O8 and a molecular weight of 516.64 g/mol. Its IUPAC name is 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide
• PubChem CID: 155171763
• Molecular Formula: C24H44N4O8
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.32
• IUPAC Name: 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide
• SMILES: C[C@@H]1CO[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3CCC=C(CNCCCO)O3)[C@@H](N)C[C@H]2NC(=O)CCN)[C@H](O)C1
• InChI: InChI=1S/C24H44N4O8/c1-14-10-18(30)24(33-13-14)36-23-17(28-19(31)6-7-25)11-16(26)22(21(23)32)35-20-5-2-4-15(34-20)12-27-8-3-9-29/h4,14,16-18,20-24,27,29-30,32H,2-3,5-13,25-26H2,1H3,(H,28,31)/t14-,16-,17+,18+,20+,21-,22+,23-,24+/m0/s1
• InChIKey: GVFKWVXVCOSERH-FJZGAPDESA-N
• XLogP: -1.58
• TPSA: 190.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	-1.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide?

The IUPAC name of 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide (CID 155171763) is 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide.

What is the SMILES notation for 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide?

The canonical SMILES for 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide is C[C@@H]1CO[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3CCC=C(CNCCCO)O3)[C@@H](N)C[C@H]2NC(=O)CCN)[C@H](O)C1.

What is the InChIKey of 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide?

The InChIKey is GVFKWVXVCOSERH-FJZGAPDESA-N. The full InChI is InChI=1S/C24H44N4O8/c1-14-10-18(30)24(33-13-14)36-23-17(28-19(31)6-7-25)11-16(26)22(21(23)32)35-20-5-2-4-15(34-20)12-27-8-3-9-29/h4,14,16-18,20-24,27,29-30,32H,2-3,5-13,25-26H2,1H3,(H,28,31)/t14-,16-,17+,18+,20+,21-,22+,23-,24+/m0/s1.

What are the key properties of 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide?

3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide has a molecular weight of 516.64 g/mol, XLogP of -1.58, 12 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-3-hydroxy-2-[(2R,3R,5S)-3-hydroxy-5-methyloxan-2-yl]oxy-4-[[(2S)-6-[(3-hydroxypropylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexyl]propanamide is sourced from PubChem (CID 155171763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).