(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one

C12H14O6 — CID 118285747

IUPAC(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one
SMILESO=C1C(O)[C@@H](Oc2ccccc2)OC(CO)[C@H]1O
InChIInChI=1S/C12H14O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-9,11-14,16H,6H2/t8?,9-,11?,12+/m1/s1
InChIKeyTVFJSDPITJRLCK-SUMRLAOFSA-N
MW254.24 g/mol
LogP-0.93
Rot. Bonds3

About (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one

(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one (PubChem CID 118285747) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one.

Molecular Properties

Compound Name(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one
PubChem CID118285747
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one
SMILESO=C1C(O)[C@@H](Oc2ccccc2)OC(CO)[C@H]1O
InChIInChI=1S/C12H14O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-9,11-14,16H,6H2/t8?,9-,11?,12+/m1/s1
InChIKeyTVFJSDPITJRLCK-SUMRLAOFSA-N
XLogP-0.93
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
CID 172642131
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
CID 172642132
(3R,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-one
CID 135043917
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol
CID 54040662
[(2R,3R,4S,5R,6S)-6-phenoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101199897
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54569433
N-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 71717834
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 6988277
(2R,3R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-one
CID 3082234
[(2R,3R,4S,5S)-4,5-diacetyloxy-2-(hydroxymethyl)-6-phenoxyoxan-3-yl] acetate
CID 20688925

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one?
The IUPAC name of (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one (CID 118285747) is (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one.
What is the SMILES notation for (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one?
The canonical SMILES for (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one is O=C1C(O)[C@@H](Oc2ccccc2)OC(CO)[C@H]1O.
What is the InChIKey of (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one?
The InChIKey is TVFJSDPITJRLCK-SUMRLAOFSA-N. The full InChI is InChI=1S/C12H14O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-9,11-14,16H,6H2/t8?,9-,11?,12+/m1/s1.
What are the key properties of (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one?
(3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one has a molecular weight of 254.24 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-one is sourced from PubChem (CID 118285747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).