2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol

C24H32N2O8 — CID 16738730

About 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol

2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol (PubChem CID 16738730) has the molecular formula C24H32N2O8 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol
• PubChem CID: 16738730
• Molecular Formula: C24H32N2O8
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.22
• IUPAC Name: 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol
• SMILES: CCCNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=C(O)Cn1c2ccccc2c(=O)c2ccccc21
• InChI: InChI=1S/C15H11NO3.C9H21NO5/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;1-2-3-10-4-6(12)8(14)9(15)7(13)5-11/h1-8H,9H2,(H,17,18);6-15H,2-5H2,1H3/t;6-,7+,8+,9-/m.0/s1
• InChIKey: ZXTGHNGIOLSKKN-OCDUBUJGSA-N
• XLogP: -0.34
• TPSA: 172.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol?

The IUPAC name of 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol (CID 16738730) is 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol.

What is the SMILES notation for 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol?

The canonical SMILES for 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol is CCCNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=C(O)Cn1c2ccccc2c(=O)c2ccccc21.

What is the InChIKey of 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol?

The InChIKey is ZXTGHNGIOLSKKN-OCDUBUJGSA-N. The full InChI is InChI=1S/C15H11NO3.C9H21NO5/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;1-2-3-10-4-6(12)8(14)9(15)7(13)5-11/h1-8H,9H2,(H,17,18);6-15H,2-5H2,1H3/t;6-,7+,8+,9-/m.0/s1.

What are the key properties of 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol?

2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 476.53 g/mol, XLogP of -0.34, 10 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-oxoacridin-10-yl)acetic acid;(2R,3S,4R,5S)-6-(propylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 16738730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).