(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one

C6H8O4 — CID 10725463

IUPAC(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CO[C@H](O2)[C@@H]1O
InChIInChI=1S/C6H8O4/c7-4-1-3-2-9-6(10-3)5(4)8/h3,5-6,8H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyGKZBQWGKMTUSPA-OTWZMJIISA-N
MW144.13 g/mol
LogP-0.94
Rot. Bonds

About (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one

(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one (PubChem CID 10725463) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one
PubChem CID10725463
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one
SMILESO=C1C[C@H]2CO[C@H](O2)[C@@H]1O
InChIInChI=1S/C6H8O4/c7-4-1-3-2-9-6(10-3)5(4)8/h3,5-6,8H,1-2H2/t3-,5+,6+/m0/s1
InChIKeyGKZBQWGKMTUSPA-OTWZMJIISA-N
XLogP-0.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4R,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 70004976
(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 10772992
(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 90963078
(1R,4R,5S)-4-bromo-6,8-dioxabicyclo[3.2.1]octane
CID 51029462
(4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
CID 89030305
5-oxabicyclo[2.1.1]hexan-2-one
CID 171036086
(1S,5S)-4,4-dimethyl-3,8-dioxabicyclo[3.2.1]octan-6-one
CID 10964751
4,5-dihydroxyoxolan-3-one
CID 174900743
(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
CID 130765315
(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
CID 131176048
(1S,4S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 26342888
6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 44616005

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one (CID 10725463) is (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one is O=C1C[C@H]2CO[C@H](O2)[C@@H]1O.
What is the InChIKey of (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one?
The InChIKey is GKZBQWGKMTUSPA-OTWZMJIISA-N. The full InChI is InChI=1S/C6H8O4/c7-4-1-3-2-9-6(10-3)5(4)8/h3,5-6,8H,1-2H2/t3-,5+,6+/m0/s1.
What are the key properties of (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one?
(1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one has a molecular weight of 144.13 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 10725463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).