(2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol

C26H30O5 — CID 11774541

IUPAC(2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol
SMILESOC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C26H30O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25+,26-/m1/s1
InChIKeyNJEJAQAZBITKET-UODIDJSMSA-N
MW422.52 g/mol
LogP3.73
Rot. Bonds13

About (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol

(2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol (PubChem CID 11774541) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol
PubChem CID11774541
Molecular FormulaC26H30O5
Molecular Weight422.52 g/mol
Exact Mass422.21
IUPAC Name(2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol
SMILESOC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C26H30O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25+,26-/m1/s1
InChIKeyNJEJAQAZBITKET-UODIDJSMSA-N
XLogP3.73
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol?
The IUPAC name of (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol (CID 11774541) is (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol.
What is the SMILES notation for (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol?
The canonical SMILES for (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol is OC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol?
The InChIKey is NJEJAQAZBITKET-UODIDJSMSA-N. The full InChI is InChI=1S/C26H30O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25+,26-/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol?
(2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol has a molecular weight of 422.52 g/mol, XLogP of 3.73, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol is sourced from PubChem (CID 11774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).