(2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol

C13H18O6 — CID 24752037

IUPAC(2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol
SMILESOC(C[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H18O6/c14-8(7-4-2-1-3-5-7)6-9-10(15)11(16)12(17)13(18)19-9/h1-5,8-18H,6H2/t8?,9-,10-,11-,12+,13+/m1/s1
InChIKeyHDLJMBGKMUUVOK-XXOUGXRWSA-N
MW270.28 g/mol
LogP-1.09
Rot. Bonds3

About (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol

(2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol (PubChem CID 24752037) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol
PubChem CID24752037
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name(2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol
SMILESOC(C[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H18O6/c14-8(7-4-2-1-3-5-7)6-9-10(15)11(16)12(17)13(18)19-9/h1-5,8-18H,6H2/t8?,9-,10-,11-,12+,13+/m1/s1
InChIKeyHDLJMBGKMUUVOK-XXOUGXRWSA-N
XLogP-1.09
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(2R,3S,4S,5S,6R)-6-(2,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 97302383
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
azulen-2-ylmethanol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67648023
(3R,4R,5S,6R)-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 25114738
(2R,3R,4S,5S,6R)-2-benzhydryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101271138
(2R,3R,4R,5S,6R)-2-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11992825
CID 159904860
CID 159904860
trioxido-[[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]phosphanium
CID 101185586
2-cyclopentyl-1-phenylethanol
CID 15629098
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol (CID 24752037) is (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol is OC(C[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccccc1.
What is the InChIKey of (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol?
The InChIKey is HDLJMBGKMUUVOK-XXOUGXRWSA-N. The full InChI is InChI=1S/C13H18O6/c14-8(7-4-2-1-3-5-7)6-9-10(15)11(16)12(17)13(18)19-9/h1-5,8-18H,6H2/t8?,9-,10-,11-,12+,13+/m1/s1.
What are the key properties of (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol has a molecular weight of 270.28 g/mol, XLogP of -1.09, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-6-(2-hydroxy-2-phenylethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 24752037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).