(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol

C10H20O4 — CID 122522436

IUPAC(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
SMILESCCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1C
InChIInChI=1S/C10H20O4/c1-4-5-13-10-6(2)8(11)9(12)7(3)14-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9+,10+/m0/s1
InChIKeyPTVKNYKNUVTDDF-RXKWGBCNSA-N
MW204.27 g/mol
LogP0.52
Rot. Bonds3

About (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol

(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol (PubChem CID 122522436) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
PubChem CID122522436
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol
SMILESCCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1C
InChIInChI=1S/C10H20O4/c1-4-5-13-10-6(2)8(11)9(12)7(3)14-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9+,10+/m0/s1
InChIKeyPTVKNYKNUVTDDF-RXKWGBCNSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol 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

6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S,6R)-5-hydroxy-2-methyl-6-propoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 102375326
(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
CID 121254748
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol
CID 174012742
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
CID 139318361

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol (CID 122522436) is (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol is CCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol?
The InChIKey is PTVKNYKNUVTDDF-RXKWGBCNSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-5-13-10-6(2)8(11)9(12)7(3)14-10/h6-12H,4-5H2,1-3H3/t6-,7-,8-,9+,10+/m0/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol?
(2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol has a molecular weight of 204.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2,5-dimethyl-6-propoxyoxane-3,4-diol is sourced from PubChem (CID 122522436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).