(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol

C12H16O6 — CID 131023997

IUPAC(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
SMILESO[C@@H]1O[C@H](O)[C@@H](O)C(OCc2ccccc2)[C@H]1O
InChIInChI=1S/C12H16O6/c13-8-10(9(14)12(16)18-11(8)15)17-6-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10?,11-,12+
InChIKeyRMBJHMHDHKCFNW-PQENDOFNSA-N
MW256.25 g/mol
LogP-1.04
Rot. Bonds3

About (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol

(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol (PubChem CID 131023997) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol.

Molecular Properties

Compound Name(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
PubChem CID131023997
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
SMILESO[C@@H]1O[C@H](O)[C@@H](O)C(OCc2ccccc2)[C@H]1O
InChIInChI=1S/C12H16O6/c13-8-10(9(14)12(16)18-11(8)15)17-6-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10?,11-,12+
InChIKeyRMBJHMHDHKCFNW-PQENDOFNSA-N
XLogP-1.04
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol?
The IUPAC name of (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol (CID 131023997) is (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol.
What is the SMILES notation for (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol?
The canonical SMILES for (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol is O[C@@H]1O[C@H](O)[C@@H](O)C(OCc2ccccc2)[C@H]1O.
What is the InChIKey of (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol?
The InChIKey is RMBJHMHDHKCFNW-PQENDOFNSA-N. The full InChI is InChI=1S/C12H16O6/c13-8-10(9(14)12(16)18-11(8)15)17-6-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10?,11-,12+.
What are the key properties of (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol?
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol has a molecular weight of 256.25 g/mol, XLogP of -1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol is sourced from PubChem (CID 131023997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).