(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol

C26H28O5 — CID 44588383

IUPAC(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILESOC1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24+,25-,26?/m1/s1
InChIKeyHTSKDJMXBBFKKG-SIDNZMCZSA-N
MW420.50 g/mol
LogP4.09
Rot. Bonds9

About (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol

(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol (PubChem CID 44588383) has the molecular formula C26H28O5 and a molecular weight of 420.50 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol
PubChem CID44588383
Molecular FormulaC26H28O5
Molecular Weight420.50 g/mol
Exact Mass420.19
IUPAC Name(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILESOC1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24+,25-,26?/m1/s1
InChIKeyHTSKDJMXBBFKKG-SIDNZMCZSA-N
XLogP4.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The IUPAC name of (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol (CID 44588383) is (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol is OC1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The InChIKey is HTSKDJMXBBFKKG-SIDNZMCZSA-N. The full InChI is InChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24+,25-,26?/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol has a molecular weight of 420.50 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 44588383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).