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

C27H30O5 — CID 10972120

IUPAC(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C27H30O5/c28-26-16-24(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-26)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25-,26?,27+/m1/s1
InChIKeyPDGHLARNGSMEJE-GWDBROLASA-N
MW434.53 g/mol
LogP4.48
Rot. Bonds10

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

(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 10972120) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID10972120
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C27H30O5/c28-26-16-24(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-26)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25-,26?,27+/m1/s1
InChIKeyPDGHLARNGSMEJE-GWDBROLASA-N
XLogP4.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 10972120) is (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is OC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is PDGHLARNGSMEJE-GWDBROLASA-N. The full InChI is InChI=1S/C27H30O5/c28-26-16-24(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-26)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25-,26?,27+/m1/s1.
What are the key properties of (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 434.53 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 10972120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).