3-(1,2,3-trihydroxypropyl)-2H-furan-5-one

C7H10O5 — CID 85221597

IUPAC3-(1,2,3-trihydroxypropyl)-2H-furan-5-one
SMILESO=C1C=C(C(O)C(O)CO)CO1
InChIInChI=1S/C7H10O5/c8-2-5(9)7(11)4-1-6(10)12-3-4/h1,5,7-9,11H,2-3H2
InChIKeyHGSNSVPUPKRBBJ-UHFFFAOYSA-N
MW174.15 g/mol
LogP-1.82
Rot. Bonds3

About 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one

3-(1,2,3-trihydroxypropyl)-2H-furan-5-one (PubChem CID 85221597) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(1,2,3-trihydroxypropyl)-2H-furan-5-one
PubChem CID85221597
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name3-(1,2,3-trihydroxypropyl)-2H-furan-5-one
SMILESO=C1C=C(C(O)C(O)CO)CO1
InChIInChI=1S/C7H10O5/c8-2-5(9)7(11)4-1-6(10)12-3-4/h1,5,7-9,11H,2-3H2
InChIKeyHGSNSVPUPKRBBJ-UHFFFAOYSA-N
XLogP-1.82
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one?
The IUPAC name of 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one (CID 85221597) is 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one.
What is the SMILES notation for 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one?
The canonical SMILES for 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one is O=C1C=C(C(O)C(O)CO)CO1.
What is the InChIKey of 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one?
The InChIKey is HGSNSVPUPKRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-2-5(9)7(11)4-1-6(10)12-3-4/h1,5,7-9,11H,2-3H2.
What are the key properties of 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one?
3-(1,2,3-trihydroxypropyl)-2H-furan-5-one has a molecular weight of 174.15 g/mol, XLogP of -1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3-trihydroxypropyl)-2H-furan-5-one is sourced from PubChem (CID 85221597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).