(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol

C35H70O20 — CID 160668374

IUPAC(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol
SMILESCC1C[C@@H](O)[C@H](CO)O1.CC1OC[C@H](O)[C@@H]1O.CC1O[C@@H](C)[C@H](O)[C@@H]1O.CC1O[C@@H](CO)C[C@@H]1O.CC1O[C@@H](CO)[C@@H](O)[C@@H]1O.CC1O[C@@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/2C6H12O4.3C6H12O3.C5H10O3/c2*1-3-5(8)6(9)4(2-7)10-3;1-4-6(8)2-5(3-7)9-4;1-4-2-5(8)6(3-7)9-4;1-3-5(7)6(8)4(2)9-3;1-3-5(7)4(6)2-8-3/h2*3-9H,2H2,1H3;2*4-8H,2-3H2,1H3;3-8H,1-2H3;3-7H,2H2,1H3/t3?,4-,5+,6+;3?,4-,5+,6-;2*4?,5-,6+;3-,4?,5-,6+;3?,4-,5+/m001100/s1
InChIKeyRMPMTRHPUGGINL-SVKWNVORSA-N
MW810.92 g/mol
LogP-5.35
Rot. Bonds4

About (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol

(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol (PubChem CID 160668374) has the molecular formula C35H70O20 and a molecular weight of 810.92 g/mol. Its IUPAC name is (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol
PubChem CID160668374
Molecular FormulaC35H70O20
Molecular Weight810.92 g/mol
Exact Mass810.45
IUPAC Name(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol
SMILESCC1C[C@@H](O)[C@H](CO)O1.CC1OC[C@H](O)[C@@H]1O.CC1O[C@@H](C)[C@H](O)[C@@H]1O.CC1O[C@@H](CO)C[C@@H]1O.CC1O[C@@H](CO)[C@@H](O)[C@@H]1O.CC1O[C@@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/2C6H12O4.3C6H12O3.C5H10O3/c2*1-3-5(8)6(9)4(2-7)10-3;1-4-6(8)2-5(3-7)9-4;1-4-2-5(8)6(3-7)9-4;1-3-5(7)6(8)4(2)9-3;1-3-5(7)4(6)2-8-3/h2*3-9H,2H2,1H3;2*4-8H,2-3H2,1H3;3-8H,1-2H3;3-7H,2H2,1H3/t3?,4-,5+,6+;3?,4-,5+,6-;2*4?,5-,6+;3-,4?,5-,6+;3?,4-,5+/m001100/s1
InChIKeyRMPMTRHPUGGINL-SVKWNVORSA-N
XLogP-5.35
TPSA338.60 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.92
LogP ≤ 5-5.35
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Analyze (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol with MolForge

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Related Compounds

(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
CID 161264357
CID 161264357
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol (CID 160668374) is (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol is CC1C[C@@H](O)[C@H](CO)O1.CC1OC[C@H](O)[C@@H]1O.CC1O[C@@H](C)[C@H](O)[C@@H]1O.CC1O[C@@H](CO)C[C@@H]1O.CC1O[C@@H](CO)[C@@H](O)[C@@H]1O.CC1O[C@@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol?
The InChIKey is RMPMTRHPUGGINL-SVKWNVORSA-N. The full InChI is InChI=1S/2C6H12O4.3C6H12O3.C5H10O3/c2*1-3-5(8)6(9)4(2-7)10-3;1-4-6(8)2-5(3-7)9-4;1-4-2-5(8)6(3-7)9-4;1-3-5(7)6(8)4(2)9-3;1-3-5(7)4(6)2-8-3/h2*3-9H,2H2,1H3;2*4-8H,2-3H2,1H3;3-8H,1-2H3;3-7H,2H2,1H3/t3?,4-,5+,6+;3?,4-,5+,6-;2*4?,5-,6+;3-,4?,5-,6+;3?,4-,5+/m001100/s1.
What are the key properties of (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol?
(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol has a molecular weight of 810.92 g/mol, XLogP of -5.35, 4 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol is sourced from PubChem (CID 160668374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).