(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol

C8H16O3S — CID 165022353

IUPAC(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
SMILESCOC[C@H]1S[C@@H](C)C(O)[C@H]1OC
InChIInChI=1S/C8H16O3S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-9H,4H2,1-3H3/t5-,6+,7?,8-/m0/s1
InChIKeyYHPNXQLWLKVUDB-WHBCSPCOSA-N
MW192.28 g/mol
LogP0.51
Rot. Bonds3

About (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol

(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol (PubChem CID 165022353) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
PubChem CID165022353
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
SMILESCOC[C@H]1S[C@@H](C)C(O)[C@H]1OC
InChIInChI=1S/C8H16O3S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-9H,4H2,1-3H3/t5-,6+,7?,8-/m0/s1
InChIKeyYHPNXQLWLKVUDB-WHBCSPCOSA-N
XLogP0.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 154603491
CID 154603491
2-(methoxymethyl)-3-methylthiirane
CID 59782905
CID 152847427
CID 152847427
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46R,47R,48S,49R)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 15973770
(4S,5R)-4-hydroxy-2-methoxy-5-(methoxymethyl)thiolan-3-one
CID 118336573
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
CID 58658314
CID 58658314
3-methoxy-5-(methoxymethyl)thiolan-2-ol
CID 144905810
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
CID 89349089
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
The IUPAC name of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol (CID 165022353) is (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol.
What is the SMILES notation for (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
The canonical SMILES for (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol is COC[C@H]1S[C@@H](C)C(O)[C@H]1OC.
What is the InChIKey of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
The InChIKey is YHPNXQLWLKVUDB-WHBCSPCOSA-N. The full InChI is InChI=1S/C8H16O3S/c1-5-7(9)8(11-3)6(12-5)4-10-2/h5-9H,4H2,1-3H3/t5-,6+,7?,8-/m0/s1.
What are the key properties of (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol?
(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol has a molecular weight of 192.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol is sourced from PubChem (CID 165022353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).