(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol

C14H20O6 — CID 153273415

IUPAC(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](OCCc2ccc(O)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20O6/c15-8-12-14(18)11(17)7-13(20-12)19-6-5-9-1-3-10(16)4-2-9/h1-4,11-18H,5-8H2/t11-,12-,13-,14+/m1/s1
InChIKeyWXOSTHXEDZVTRO-SYQHCUMBSA-N
MW284.31 g/mol
LogP-0.22
Rot. Bonds5

About (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol

(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol (PubChem CID 153273415) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol
PubChem CID153273415
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](OCCc2ccc(O)cc2)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20O6/c15-8-12-14(18)11(17)7-13(20-12)19-6-5-9-1-3-10(16)4-2-9/h1-4,11-18H,5-8H2/t11-,12-,13-,14+/m1/s1
InChIKeyWXOSTHXEDZVTRO-SYQHCUMBSA-N
XLogP-0.22
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
(2R,3S,4R,5S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 170012214
5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 172627567
(2R,3R,4S,5S,6R)-2-[2-(4-fluorophenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166634079
(2R,3R,4S,5S,6R)-2-[2-(4-bromophenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169106470

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol (CID 153273415) is (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol is OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol?
The InChIKey is WXOSTHXEDZVTRO-SYQHCUMBSA-N. The full InChI is InChI=1S/C14H20O6/c15-8-12-14(18)11(17)7-13(20-12)19-6-5-9-1-3-10(16)4-2-9/h1-4,11-18H,5-8H2/t11-,12-,13-,14+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol?
(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol has a molecular weight of 284.31 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol is sourced from PubChem (CID 153273415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).