(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol

C12H16O6 — CID 163023546

IUPAC(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
SMILESCc1cc(O)cc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C12H16O6/c1-6-2-7(13)4-8(3-6)18-12-11(16)10(15)9(14)5-17-12/h2-4,9-16H,5H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKeyZTHJDVHNGYKCSH-WRWGMCAJSA-N
MW256.25 g/mol
LogP-0.48
Rot. Bonds2

About (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol

(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol (PubChem CID 163023546) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
PubChem CID163023546
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
SMILESCc1cc(O)cc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C12H16O6/c1-6-2-7(13)4-8(3-6)18-12-11(16)10(15)9(14)5-17-12/h2-4,9-16H,5H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKeyZTHJDVHNGYKCSH-WRWGMCAJSA-N
XLogP-0.48
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
CID 70793169
(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
CID 688371
2-[2-hydroxy-3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 163154648
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 11173848
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 162967372
3-(3-ethylcyclohexyl)oxy-5-methylphenol
CID 107680285
4-[2,6-dimethyl-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxybenzoyl]benzonitrile
CID 10271296
(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol
CID 90766018
(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol
CID 162982504
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol (CID 163023546) is (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol is Cc1cc(O)cc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1.
What is the InChIKey of (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol?
The InChIKey is ZTHJDVHNGYKCSH-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H16O6/c1-6-2-7(13)4-8(3-6)18-12-11(16)10(15)9(14)5-17-12/h2-4,9-16H,5H2,1H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol has a molecular weight of 256.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 163023546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).