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

C12H16O6 — CID 758005

IUPAC(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
SMILESCOc1ccccc1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16O6/c1-16-8-4-2-3-5-9(8)18-12-11(15)10(14)7(13)6-17-12/h2-5,7,10-15H,6H2,1H3/t7-,10+,11+,12-/m0/s1
InChIKeyQEAXQDMXCTTWDY-BWWFWGKFSA-N
MW256.25 g/mol
LogP-0.49
Rot. Bonds3

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

(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol (PubChem CID 758005) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
PubChem CID758005
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
SMILESCOc1ccccc1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16O6/c1-16-8-4-2-3-5-9(8)18-12-11(15)10(14)7(13)6-17-12/h2-5,7,10-15H,6H2,1H3/t7-,10+,11+,12-/m0/s1
InChIKeyQEAXQDMXCTTWDY-BWWFWGKFSA-N
XLogP-0.49
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol
CID 7078165
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 11173848
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
CID 70793169
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
(2S,4S,5R)-2-(4-(18F)fluoronaphthalen-1-yl)oxyoxane-3,4,5-triol
CID 164817617
2-(3,4-dimethoxyphenyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
CID 102522457
3,5-dimethoxy-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxybenzoic acid
CID 162891534
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2,5-di(anthracen-1-yloxy)oxane-3,4-diol
CID 91407822
(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163193998

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol (CID 758005) is (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol is COc1ccccc1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol?
The InChIKey is QEAXQDMXCTTWDY-BWWFWGKFSA-N. The full InChI is InChI=1S/C12H16O6/c1-16-8-4-2-3-5-9(8)18-12-11(15)10(14)7(13)6-17-12/h2-5,7,10-15H,6H2,1H3/t7-,10+,11+,12-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol?
(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol has a molecular weight of 256.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 758005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).