3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one

C7H10O5 — CID 54684743

IUPAC3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
SMILESCC(CO)C1OC(=O)C(O)=C1O
InChIInChI=1S/C7H10O5/c1-3(2-8)6-4(9)5(10)7(11)12-6/h3,6,8-10H,2H2,1H3
InChIKeyYLZWOWFPKQOQDS-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.13
Rot. Bonds2

About 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one

3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one (PubChem CID 54684743) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
PubChem CID54684743
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
SMILESCC(CO)C1OC(=O)C(O)=C1O
InChIInChI=1S/C7H10O5/c1-3(2-8)6-4(9)5(10)7(11)12-6/h3,6,8-10H,2H2,1H3
InChIKeyYLZWOWFPKQOQDS-UHFFFAOYSA-N
XLogP-0.13
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one?
The IUPAC name of 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one (CID 54684743) is 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one.
What is the SMILES notation for 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one?
The canonical SMILES for 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one is CC(CO)C1OC(=O)C(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one?
The InChIKey is YLZWOWFPKQOQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3(2-8)6-4(9)5(10)7(11)12-6/h3,6,8-10H,2H2,1H3.
What are the key properties of 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one?
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one has a molecular weight of 174.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one is sourced from PubChem (CID 54684743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).