(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol

C12H16O6 — CID 125489858

IUPAC(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@](O)(c2ccccc2)[C@@H]1O
InChIInChI=1S/C12H16O6/c13-6-8-9(14)12(17,10(15)11(16)18-8)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyQWIOYSXKHJEANN-RMPHRYRLSA-N
MW256.25 g/mol
LogP-1.69
Rot. Bonds2

About (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol

(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol (PubChem CID 125489858) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
PubChem CID125489858
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@](O)(c2ccccc2)[C@@H]1O
InChIInChI=1S/C12H16O6/c13-6-8-9(14)12(17,10(15)11(16)18-8)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyQWIOYSXKHJEANN-RMPHRYRLSA-N
XLogP-1.69
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91313523
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-phenyloxolane-3,4-diol
CID 44628663
(2R,3R,4R,5S,6R)-4-[10,20-bis[(2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-15-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-4-yl]-21,24-dihydroporphyrin-5-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 162705015
(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
CID 70798995
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706
(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
CID 174151377

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol (CID 125489858) is (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol is OC[C@H]1O[C@@H](O)[C@H](O)[C@@](O)(c2ccccc2)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol?
The InChIKey is QWIOYSXKHJEANN-RMPHRYRLSA-N. The full InChI is InChI=1S/C12H16O6/c13-6-8-9(14)12(17,10(15)11(16)18-8)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol?
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol has a molecular weight of 256.25 g/mol, XLogP of -1.69, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 125489858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).