(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

C28H32O5 — CID 130468150

IUPAC(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O1
InChIInChI=1S/C28H32O5/c1-29-27-17-25(31-19-23-13-7-3-8-14-23)28(32-20-24-15-9-4-10-16-24)26(33-27)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26?,27+,28-/m1/s1
InChIKeyQGZHSZVCTPWCDC-CEWLOAIUSA-N
MW448.56 g/mol
LogP5.14
Rot. Bonds11

About (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (PubChem CID 130468150) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
PubChem CID130468150
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O1
InChIInChI=1S/C28H32O5/c1-29-27-17-25(31-19-23-13-7-3-8-14-23)28(32-20-24-15-9-4-10-16-24)26(33-27)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26?,27+,28-/m1/s1
InChIKeyQGZHSZVCTPWCDC-CEWLOAIUSA-N
XLogP5.14
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The IUPAC name of (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (CID 130468150) is (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is CO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(COCc2ccccc2)O1.
What is the InChIKey of (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The InChIKey is QGZHSZVCTPWCDC-CEWLOAIUSA-N. The full InChI is InChI=1S/C28H32O5/c1-29-27-17-25(31-19-23-13-7-3-8-14-23)28(32-20-24-15-9-4-10-16-24)26(33-27)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26?,27+,28-/m1/s1.
What are the key properties of (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
(3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane has a molecular weight of 448.56 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-6-methoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 130468150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).