(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol

C11H23NO5 — CID 88654072

IUPAC(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol
SMILESCCCCCNO[C@H]1O[C@H]([C@@H](O)CO)C[C@H]1O
InChIInChI=1S/C11H23NO5/c1-2-3-4-5-12-17-11-8(14)6-10(16-11)9(15)7-13/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m1/s1
InChIKeyJEJMDJOSMJVOCI-VPOLOUISSA-N
MW249.31 g/mol
LogP-0.47
Rot. Bonds8

About (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol

(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol (PubChem CID 88654072) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol
PubChem CID88654072
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol
SMILESCCCCCNO[C@H]1O[C@H]([C@@H](O)CO)C[C@H]1O
InChIInChI=1S/C11H23NO5/c1-2-3-4-5-12-17-11-8(14)6-10(16-11)9(15)7-13/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m1/s1
InChIKeyJEJMDJOSMJVOCI-VPOLOUISSA-N
XLogP-0.47
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol 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 (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol (CID 88654072) is (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol is CCCCCNO[C@H]1O[C@H]([C@@H](O)CO)C[C@H]1O.
What is the InChIKey of (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol?
The InChIKey is JEJMDJOSMJVOCI-VPOLOUISSA-N. The full InChI is InChI=1S/C11H23NO5/c1-2-3-4-5-12-17-11-8(14)6-10(16-11)9(15)7-13/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m1/s1.
What are the key properties of (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol?
(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol has a molecular weight of 249.31 g/mol, XLogP of -0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 88654072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).