(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol

C8H16O6 — CID 121291371

IUPAC(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](OCC(O)CO)[C@@H](O)C1O
InChIInChI=1S/C8H16O6/c1-4-6(11)7(12)8(14-4)13-3-5(10)2-9/h4-12H,2-3H2,1H3/t4-,5?,6?,7+,8-/m1/s1
InChIKeyWWXHDLWLRLAVHC-DUDWNBAHSA-N
MW208.21 g/mol
LogP-2.18
Rot. Bonds4

About (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol

(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol (PubChem CID 121291371) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
PubChem CID121291371
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](OCC(O)CO)[C@@H](O)C1O
InChIInChI=1S/C8H16O6/c1-4-6(11)7(12)8(14-4)13-3-5(10)2-9/h4-12H,2-3H2,1H3/t4-,5?,6?,7+,8-/m1/s1
InChIKeyWWXHDLWLRLAVHC-DUDWNBAHSA-N
XLogP-2.18
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
CID 24859094
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365
[3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-2-hydroxypropyl] hydrogen sulfate
CID 121291370
(2R,3R,4S,5S)-2-(2,3-dihydroxypropoxy)-5-(dimethylarsinothioylmethyl)oxolane-3,4-diol
CID 101356821
methyl (2S,3S,4S,5R,6S)-6-(2,3-dihydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylate
CID 91847358
sodium [(2R,3S,4S,5R,6S)-6-[(2R)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl sulfate
CID 101042125
2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
CID 20512830
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(2S,4S,5R)-2-[(3R,4R,6R)-6-(2,3-dihydroxypropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90926336
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-(2,3-dihydroxypropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102208394

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol (CID 121291371) is (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H](OCC(O)CO)[C@@H](O)C1O.
What is the InChIKey of (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol?
The InChIKey is WWXHDLWLRLAVHC-DUDWNBAHSA-N. The full InChI is InChI=1S/C8H16O6/c1-4-6(11)7(12)8(14-4)13-3-5(10)2-9/h4-12H,2-3H2,1H3/t4-,5?,6?,7+,8-/m1/s1.
What are the key properties of (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol?
(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol has a molecular weight of 208.21 g/mol, XLogP of -2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 121291371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).