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

C13H18O5 — CID 11097119

IUPAC(2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18O5/c1-8-10(14)11(15)12(16)13(18-8)17-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3/t8-,10+,11+,12-,13+/m0/s1
InChIKeyUHQDDNIUJBFOEL-ZYJFBCHUSA-N
MW254.28 g/mol
LogP0.03
Rot. Bonds3

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

(2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol (PubChem CID 11097119) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
PubChem CID11097119
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18O5/c1-8-10(14)11(15)12(16)13(18-8)17-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3/t8-,10+,11+,12-,13+/m0/s1
InChIKeyUHQDDNIUJBFOEL-ZYJFBCHUSA-N
XLogP0.03
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol (CID 11097119) is (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol is C[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
The InChIKey is UHQDDNIUJBFOEL-ZYJFBCHUSA-N. The full InChI is InChI=1S/C13H18O5/c1-8-10(14)11(15)12(16)13(18-8)17-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3/t8-,10+,11+,12-,13+/m0/s1.
What are the key properties of (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
(2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol has a molecular weight of 254.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol is sourced from PubChem (CID 11097119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).