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

C25H34N2O8 — CID 16739205

IUPAC(2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid
SMILESCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C15H11NO3.C10H23NO5/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;1-2-3-4-11-5-7(13)9(15)10(16)8(14)6-12/h1-8H,9H2,(H,17,18);7-16H,2-6H2,1H3/t;7-,8+,9+,10+/m.0/s1
InChIKeyLOEOGNYGLDVPDV-KFXURVLUSA-N
MW490.55 g/mol
LogP0.05
Rot. Bonds11

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

(2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid (PubChem CID 16739205) has the molecular formula C25H34N2O8 and a molecular weight of 490.55 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid
PubChem CID16739205
Molecular FormulaC25H34N2O8
Molecular Weight490.55 g/mol
Exact Mass490.23
IUPAC Name(2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid
SMILESCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C15H11NO3.C10H23NO5/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;1-2-3-4-11-5-7(13)9(15)10(16)8(14)6-12/h1-8H,9H2,(H,17,18);7-16H,2-6H2,1H3/t;7-,8+,9+,10+/m.0/s1
InChIKeyLOEOGNYGLDVPDV-KFXURVLUSA-N
XLogP0.05
TPSA172.48 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 50.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid?
The IUPAC name of (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid (CID 16739205) is (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid is CCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid?
The InChIKey is LOEOGNYGLDVPDV-KFXURVLUSA-N. The full InChI is InChI=1S/C15H11NO3.C10H23NO5/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;1-2-3-4-11-5-7(13)9(15)10(16)8(14)6-12/h1-8H,9H2,(H,17,18);7-16H,2-6H2,1H3/t;7-,8+,9+,10+/m.0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid?
(2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid has a molecular weight of 490.55 g/mol, XLogP of 0.05, 11 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(butylamino)hexane-1,2,3,4,5-pentol;2-(9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 16739205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).