(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol

C14H28O6 — CID 57149142

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol
SMILESCCCC(CCC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-3-5-9(6-4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyLIASRAIUTPUZSW-RGDJUOJXSA-N
MW292.37 g/mol
LogP0.02
Rot. Bonds8

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol (PubChem CID 57149142) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol
PubChem CID57149142
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol
SMILESCCCC(CCC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H28O6/c1-3-5-9(6-4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyLIASRAIUTPUZSW-RGDJUOJXSA-N
XLogP0.02
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-octyldodecoxy)oxane-3,4,5-triol
CID 11856724
(3R,4R,5R)-2-(2-hexyldodecoxy)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67082078
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(2-hexyldecoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102183323
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
CID 123699386
(2S,3R,4S,5S,6R)-2-(2-hydroxyheptoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70127201
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol (CID 57149142) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol is CCCC(CCC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol?
The InChIKey is LIASRAIUTPUZSW-RGDJUOJXSA-N. The full InChI is InChI=1S/C14H28O6/c1-3-5-9(6-4-2)8-19-14-13(18)12(17)11(16)10(7-15)20-14/h9-18H,3-8H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol has a molecular weight of 292.37 g/mol, XLogP of 0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol is sourced from PubChem (CID 57149142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).