(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol

C12H16O5 — CID 23260821

IUPAC(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O5/c1-7-9(13)10(14)11(15)12(16-7)17-8-5-3-2-4-6-8/h2-7,9-15H,1H3/t7-,9-,10+,11+,12-/m0/s1
InChIKeyREPZTFJHHCCRRS-CFVLRQLYSA-N
MW240.25 g/mol
LogP-0.11
Rot. Bonds2

About (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol

(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol (PubChem CID 23260821) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
PubChem CID23260821
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16O5/c1-7-9(13)10(14)11(15)12(16-7)17-8-5-3-2-4-6-8/h2-7,9-15H,1H3/t7-,9-,10+,11+,12-/m0/s1
InChIKeyREPZTFJHHCCRRS-CFVLRQLYSA-N
XLogP-0.11
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S,5R)-2-(4-aminophenoxy)-6-methyloxane-3,4,5-triol
CID 90397338
(3R,4S,5R,6R)-2-(4-aminophenoxy)-6-methyloxane-3,4,5-triol
CID 22887138
(2R,3S,4S,5R,6S)-2-methyl-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 70423930
(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoic acid
CID 101375971
(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
CID 26470476
(3R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
CID 133124983
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,4S,5R,6S)-2-methyl-6-[4-[2-(methylamino)ethyl]phenoxy]oxane-3,4,5-triol
CID 163037828
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] benzoate
CID 10611936
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-(4-aminophenoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 165342851

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol (CID 23260821) is (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol is C[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol?
The InChIKey is REPZTFJHHCCRRS-CFVLRQLYSA-N. The full InChI is InChI=1S/C12H16O5/c1-7-9(13)10(14)11(15)12(16-7)17-8-5-3-2-4-6-8/h2-7,9-15H,1H3/t7-,9-,10+,11+,12-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol?
(2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol has a molecular weight of 240.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-methyl-6-phenoxyoxane-3,4,5-triol is sourced from PubChem (CID 23260821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).