3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione

C7H10O6 — CID 139795813

IUPAC3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione
SMILESO=C1CC(C(O)C(O)CO)C(=O)O1
InChIInChI=1S/C7H10O6/c8-2-4(9)6(11)3-1-5(10)13-7(3)12/h3-4,6,8-9,11H,1-2H2
InChIKeyCRRQOWUKOWHJRN-UHFFFAOYSA-N
MW190.15 g/mol
LogP-2.21
Rot. Bonds3

About 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione

3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione (PubChem CID 139795813) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione
PubChem CID139795813
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione
SMILESO=C1CC(C(O)C(O)CO)C(=O)O1
InChIInChI=1S/C7H10O6/c8-2-4(9)6(11)3-1-5(10)13-7(3)12/h3-4,6,8-9,11H,1-2H2
InChIKeyCRRQOWUKOWHJRN-UHFFFAOYSA-N
XLogP-2.21
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(1-silylpropyl)oxolane-2,5-dione
CID 173422066
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
3-[4-(2,5-dihydroxyoxolan-3-yl)pentan-2-yl]oxolane-2,5-dione
CID 174791212
3-octadecan-8-yloxolane-2,5-dione
CID 150546786
3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
CID 121369308
(3R)-3-hydroxyoxolane-2,5-dione
CID 118327209
3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
CID 22979801
3-octadecan-2-yloxolane-2,5-dione
CID 86037827
methane;3-(3-methylheptan-2-yl)oxolane-2,5-dione
CID 159205301
3-hexadecan-4-yloxolane-2,5-dione
CID 152596663
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione?
The IUPAC name of 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione (CID 139795813) is 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione is O=C1CC(C(O)C(O)CO)C(=O)O1.
What is the InChIKey of 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione?
The InChIKey is CRRQOWUKOWHJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c8-2-4(9)6(11)3-1-5(10)13-7(3)12/h3-4,6,8-9,11H,1-2H2.
What are the key properties of 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione?
3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione has a molecular weight of 190.15 g/mol, XLogP of -2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione is sourced from PubChem (CID 139795813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).