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

C34H36O5 — CID 11800221

IUPAC(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2OC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H36O5/c1-5-13-27(14-6-1)21-35-25-31-33(38-23-29-17-9-3-10-18-29)34(39-24-30-19-11-4-12-20-30)32(26-37-31)36-22-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31-,32+,33-,34-/m1/s1
InChIKeyQKZMWYJFJHCINI-KMKAFXEASA-N
MW524.66 g/mol
LogP6.36
Rot. Bonds13

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

(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (PubChem CID 11800221) has the molecular formula C34H36O5 and a molecular weight of 524.66 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
PubChem CID11800221
Molecular FormulaC34H36O5
Molecular Weight524.66 g/mol
Exact Mass524.26
IUPAC Name(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2OC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H36O5/c1-5-13-27(14-6-1)21-35-25-31-33(38-23-29-17-9-3-10-18-29)34(39-24-30-19-11-4-12-20-30)32(26-37-31)36-22-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31-,32+,33-,34-/m1/s1
InChIKeyQKZMWYJFJHCINI-KMKAFXEASA-N
XLogP6.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (CID 11800221) is (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is c1ccc(COC[C@H]2OC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The InChIKey is QKZMWYJFJHCINI-KMKAFXEASA-N. The full InChI is InChI=1S/C34H36O5/c1-5-13-27(14-6-1)21-35-25-31-33(38-23-29-17-9-3-10-18-29)34(39-24-30-19-11-4-12-20-30)32(26-37-31)36-22-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31-,32+,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane has a molecular weight of 524.66 g/mol, XLogP of 6.36, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11800221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).