(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C35H38O5 — CID 14157743

IUPAC(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3/t27-,32-,33+,34-,35-/m1/s1
InChIKeyWIWPUDCFWHDUNF-KFTXORTOSA-N
MW538.68 g/mol
LogP6.75
Rot. Bonds13

About (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 14157743) has the molecular formula C35H38O5 and a molecular weight of 538.68 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID14157743
Molecular FormulaC35H38O5
Molecular Weight538.68 g/mol
Exact Mass538.27
IUPAC Name(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3/t27-,32-,33+,34-,35-/m1/s1
InChIKeyWIWPUDCFWHDUNF-KFTXORTOSA-N
XLogP6.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.68
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 14157743) is (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is WIWPUDCFWHDUNF-KFTXORTOSA-N. The full InChI is InChI=1S/C35H38O5/c1-27-33(37-23-29-16-8-3-9-17-29)35(39-25-31-20-12-5-13-21-31)34(38-24-30-18-10-4-11-19-30)32(40-27)26-36-22-28-14-6-2-7-15-28/h2-21,27,32-35H,22-26H2,1H3/t27-,32-,33+,34-,35-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 538.68 g/mol, XLogP of 6.75, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 14157743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).