(2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol

C11H14O5 — CID 1379863

IUPAC(2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)OC[C@H]1O
InChIInChI=1S/C11H14O5/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10-,11+/m1/s1
InChIKeyRTBHKOWSOJOEPS-YTWAJWBKSA-N
MW226.23 g/mol
LogP-0.50
Rot. Bonds2

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

(2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol (PubChem CID 1379863) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol
PubChem CID1379863
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)OC[C@H]1O
InChIInChI=1S/C11H14O5/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10-,11+/m1/s1
InChIKeyRTBHKOWSOJOEPS-YTWAJWBKSA-N
XLogP-0.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.50
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-phenoxyoxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol (CID 1379863) is (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)OC[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol?
The InChIKey is RTBHKOWSOJOEPS-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H14O5/c12-8-6-15-11(10(14)9(8)13)16-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10-,11+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol?
(2S,3R,4S,5R)-2-phenoxyoxane-3,4,5-triol has a molecular weight of 226.23 g/mol, XLogP of -0.50, 2 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-phenoxyoxane-3,4,5-triol is sourced from PubChem (CID 1379863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).