(3R,4S)-2,4-dimethyloxolane-3,4-diol

C6H12O3 — CID 143327759

IUPAC(3R,4S)-2,4-dimethyloxolane-3,4-diol
SMILESCC1OC[C@](C)(O)[C@@H]1O
InChIInChI=1S/C6H12O3/c1-4-5(7)6(2,8)3-9-4/h4-5,7-8H,3H2,1-2H3/t4?,5-,6+/m1/s1
InChIKeyULZSSPRGNPYARN-UVCATTPVSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds

About (3R,4S)-2,4-dimethyloxolane-3,4-diol

(3R,4S)-2,4-dimethyloxolane-3,4-diol (PubChem CID 143327759) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3R,4S)-2,4-dimethyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-2,4-dimethyloxolane-3,4-diol
PubChem CID143327759
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3R,4S)-2,4-dimethyloxolane-3,4-diol
SMILESCC1OC[C@](C)(O)[C@@H]1O
InChIInChI=1S/C6H12O3/c1-4-5(7)6(2,8)3-9-4/h4-5,7-8H,3H2,1-2H3/t4?,5-,6+/m1/s1
InChIKeyULZSSPRGNPYARN-UVCATTPVSA-N
XLogP-0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3a,5,6a-tetrahydrofuro[3,2-b]furan-3,6-diol
CID 68824826
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
2,4-dimethyloxetane-2,3-diol
CID 142770026
(4R)-4-methoxy-2,4-dimethyloxan-3-ol
CID 89038479
(3R,4S)-4-hydroxy-3,4-dimethyloxolan-2-one
CID 10820550
(3R,4S,5S)-3-[(3R,4S,5S)-3-hydroxy-5-methyl-4-(methylamino)oxolan-3-yl]-5-methyl-4-(methylamino)oxolan-3-ol
CID 15307192
(3R,3aS,6R,7aS)-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3-ol
CID 59986066

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,4-dimethyloxolane-3,4-diol?
The IUPAC name of (3R,4S)-2,4-dimethyloxolane-3,4-diol (CID 143327759) is (3R,4S)-2,4-dimethyloxolane-3,4-diol.
What is the SMILES notation for (3R,4S)-2,4-dimethyloxolane-3,4-diol?
The canonical SMILES for (3R,4S)-2,4-dimethyloxolane-3,4-diol is CC1OC[C@](C)(O)[C@@H]1O.
What is the InChIKey of (3R,4S)-2,4-dimethyloxolane-3,4-diol?
The InChIKey is ULZSSPRGNPYARN-UVCATTPVSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(7)6(2,8)3-9-4/h4-5,7-8H,3H2,1-2H3/t4?,5-,6+/m1/s1.
What are the key properties of (3R,4S)-2,4-dimethyloxolane-3,4-diol?
(3R,4S)-2,4-dimethyloxolane-3,4-diol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,4-dimethyloxolane-3,4-diol is sourced from PubChem (CID 143327759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).