2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione

C15H17NO5 — CID 25211439

IUPAC2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC[C@H]1C[C@@H](O)C[C@@H](O)O1
InChIInChI=1S/C15H17NO5/c17-9-7-10(21-13(18)8-9)5-6-16-14(19)11-3-1-2-4-12(11)15(16)20/h1-4,9-10,13,17-18H,5-8H2/t9-,10+,13+/m1/s1
InChIKeyIQEXBIDWHNIJHJ-NRUUGDAUSA-N
MW291.30 g/mol
LogP0.53
Rot. Bonds3

About 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione

2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 25211439) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione
PubChem CID25211439
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC[C@H]1C[C@@H](O)C[C@@H](O)O1
InChIInChI=1S/C15H17NO5/c17-9-7-10(21-13(18)8-9)5-6-16-14(19)11-3-1-2-4-12(11)15(16)20/h1-4,9-10,13,17-18H,5-8H2/t9-,10+,13+/m1/s1
InChIKeyIQEXBIDWHNIJHJ-NRUUGDAUSA-N
XLogP0.53
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
CID 25211441
sodium;2-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione;(3R,5R)-7-(1,3-dioxoisoindol-2-yl)-3,5-dihydroxyheptanoic acid;oxido hypochlorite
CID 158843068
2-[2-[(1R,3R)-3-hydroxy-5-oxocycloheptyl]ethyl]isoindole-1,3-dione
CID 90392502
2-[2-(1,3-dioxoinden-2-yl)ethyl]isoindole-1,3-dione
CID 59938130
2-[2-[(2S,4S)-4-methyl-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
CID 58273111
2-[4-(oxiran-2-yl)butyl]isoindole-1,3-dione
CID 15410507
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 134465551
CID 135010027
CID 135010027

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione (CID 25211439) is 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC[C@H]1C[C@@H](O)C[C@@H](O)O1.
What is the InChIKey of 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is IQEXBIDWHNIJHJ-NRUUGDAUSA-N. The full InChI is InChI=1S/C15H17NO5/c17-9-7-10(21-13(18)8-9)5-6-16-14(19)11-3-1-2-4-12(11)15(16)20/h1-4,9-10,13,17-18H,5-8H2/t9-,10+,13+/m1/s1.
What are the key properties of 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 291.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,4R,6S)-4,6-dihydroxyoxan-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 25211439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).