(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol

C9H18O6 — CID 24859094

IUPAC(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
SMILESCC(O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O6/c1-4(10)3-14-9-8(13)7(12)6(11)5(2)15-9/h4-13H,3H2,1-2H3/t4?,5-,6+,7+,8-,9-/m1/s1
InChIKeyMIIQZYQBTPGJFG-VGPGGAHRSA-N
MW222.24 g/mol
LogP-1.79
Rot. Bonds3

About (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol (PubChem CID 24859094) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
PubChem CID24859094
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
SMILESCC(O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H18O6/c1-4(10)3-14-9-8(13)7(12)6(11)5(2)15-9/h4-13H,3H2,1-2H3/t4?,5-,6+,7+,8-,9-/m1/s1
InChIKeyMIIQZYQBTPGJFG-VGPGGAHRSA-N
XLogP-1.79
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
CID 121291371
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(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
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
CID 158281712
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(2S,3R,4S,5S,6R)-2-[(2S,3S,4R)-3,4-dihydroxy-2-methyloctadecoxy]-6-methyloxane-3,4,5-triol
CID 87055840
[3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-2-hydroxypropyl] hydrogen sulfate
CID 121291370
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol (CID 24859094) is (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol is CC(O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol?
The InChIKey is MIIQZYQBTPGJFG-VGPGGAHRSA-N. The full InChI is InChI=1S/C9H18O6/c1-4(10)3-14-9-8(13)7(12)6(11)5(2)15-9/h4-13H,3H2,1-2H3/t4?,5-,6+,7+,8-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol has a molecular weight of 222.24 g/mol, XLogP of -1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 24859094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).