(2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol

C13H18O5 — CID 11780050

IUPAC(2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18O5/c14-7-10-12(16)13(17)11(15)9(18-10)6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11-,12+,13+/m0/s1
InChIKeyYPNDAFWJRPZHMP-OBPIAQAESA-N
MW254.28 g/mol
LogP-0.93
Rot. Bonds3

About (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11780050) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID11780050
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H18O5/c14-7-10-12(16)13(17)11(15)9(18-10)6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11-,12+,13+/m0/s1
InChIKeyYPNDAFWJRPZHMP-OBPIAQAESA-N
XLogP-0.93
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11780050) is (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is YPNDAFWJRPZHMP-OBPIAQAESA-N. The full InChI is InChI=1S/C13H18O5/c14-7-10-12(16)13(17)11(15)9(18-10)6-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10+,11-,12+,13+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 254.28 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11780050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).