(2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C33H34O5 — CID 11477741

IUPAC(2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C33H34O5/c34-30-31(28-19-11-4-12-20-28)38-29(24-35-21-25-13-5-1-6-14-25)32(36-22-26-15-7-2-8-16-26)33(30)37-23-27-17-9-3-10-18-27/h1-20,29-34H,21-24H2/t29-,30+,31-,32-,33-/m1/s1
InChIKeyYJTGPJSHMXGKDE-CVCQUZQZSA-N
MW510.63 g/mol
LogP5.88
Rot. Bonds11

About (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

(2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 11477741) has the molecular formula C33H34O5 and a molecular weight of 510.63 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID11477741
Molecular FormulaC33H34O5
Molecular Weight510.63 g/mol
Exact Mass510.24
IUPAC Name(2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C33H34O5/c34-30-31(28-19-11-4-12-20-28)38-29(24-35-21-25-13-5-1-6-14-25)32(36-22-26-15-7-2-8-16-26)33(30)37-23-27-17-9-3-10-18-27/h1-20,29-34H,21-24H2/t29-,30+,31-,32-,33-/m1/s1
InChIKeyYJTGPJSHMXGKDE-CVCQUZQZSA-N
XLogP5.88
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 11477741) is (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is YJTGPJSHMXGKDE-CVCQUZQZSA-N. The full InChI is InChI=1S/C33H34O5/c34-30-31(28-19-11-4-12-20-28)38-29(24-35-21-25-13-5-1-6-14-25)32(36-22-26-15-7-2-8-16-26)33(30)37-23-27-17-9-3-10-18-27/h1-20,29-34H,21-24H2/t29-,30+,31-,32-,33-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
(2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 510.63 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 11477741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).