(2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol

C18H20O5 — CID 3062905

IUPAC(2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccc(Cc3ccccc3)cc2)OC[C@H]1O
InChIInChI=1S/C18H20O5/c19-15-11-22-18(17(21)16(15)20)23-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15-21H,10-11H2/t15-,16+,17-,18+/m1/s1
InChIKeyATUSJIYVKSSHKO-XDNAFOTISA-N
MW316.35 g/mol
LogP1.10
Rot. Bonds4

About (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol

(2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol (PubChem CID 3062905) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol
PubChem CID3062905
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name(2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccc(Cc3ccccc3)cc2)OC[C@H]1O
InChIInChI=1S/C18H20O5/c19-15-11-22-18(17(21)16(15)20)23-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15-21H,10-11H2/t15-,16+,17-,18+/m1/s1
InChIKeyATUSJIYVKSSHKO-XDNAFOTISA-N
XLogP1.10
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol (CID 3062905) is (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](Oc2ccc(Cc3ccccc3)cc2)OC[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol?
The InChIKey is ATUSJIYVKSSHKO-XDNAFOTISA-N. The full InChI is InChI=1S/C18H20O5/c19-15-11-22-18(17(21)16(15)20)23-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15-21H,10-11H2/t15-,16+,17-,18+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol has a molecular weight of 316.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(4-benzylphenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 3062905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).