(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one

C5H8O4 — CID 10997077

IUPAC(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
SMILESC[C@@]1(O)C(=O)OC[C@@H]1O
InChIInChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m0/s1
InChIKeyOHTGZAWPVDWARE-UCORVYFPSA-N
MW132.11 g/mol
LogP-1.34
Rot. Bonds

About (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one

(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one (PubChem CID 10997077) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
PubChem CID10997077
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
SMILESC[C@@]1(O)C(=O)OC[C@@H]1O
InChIInChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m0/s1
InChIKeyOHTGZAWPVDWARE-UCORVYFPSA-N
XLogP-1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-hydroxy-3,4-dimethyloxolan-2-one
CID 97303838
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(3aS,7R,7aS)-7-hydroxy-2,2,7-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 102026058
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
4-amino-3,3-dimethyloxolan-2-one
CID 59657819
3,4-dihydroxy-3,5-dimethyloxolan-2-one
CID 130144854
(5R,9S)-3,4,9-trihydroxy-1,7-dioxaspiro[4.4]non-3-ene-2,6-dione
CID 66843032
5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
CID 74326237
(4R)-3,3,4-trihydroxyoxan-2-one
CID 89299537
(1R)-7-hydroxy-1-(3-methylbut-2-enyl)-3-oxabicyclo[3.2.1]octan-2-one
CID 154790726
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
1-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 158344420

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
The IUPAC name of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one (CID 10997077) is (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one is C[C@@]1(O)C(=O)OC[C@@H]1O.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
The InChIKey is OHTGZAWPVDWARE-UCORVYFPSA-N. The full InChI is InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m0/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one?
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one has a molecular weight of 132.11 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 10997077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).