(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

C28H32O5 — CID 135017778

IUPAC(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESCO[C@H]1C(COCc2ccccc2)OCC(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-29-27-25(20-30-17-22-11-5-2-6-12-22)32-21-26(31-18-23-13-7-3-8-14-23)28(27)33-19-24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25?,26?,27-,28-/m0/s1
InChIKeyIKYUHRQBWTVVLH-PAIGMYNKSA-N
MW448.56 g/mol
LogP4.79
Rot. Bonds11

About (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane

(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (PubChem CID 135017778) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
PubChem CID135017778
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
SMILESCO[C@H]1C(COCc2ccccc2)OCC(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-29-27-25(20-30-17-22-11-5-2-6-12-22)32-21-26(31-18-23-13-7-3-8-14-23)28(27)33-19-24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25?,26?,27-,28-/m0/s1
InChIKeyIKYUHRQBWTVVLH-PAIGMYNKSA-N
XLogP4.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
N-[(3S,4R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 163997809
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The IUPAC name of (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane (CID 135017778) is (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is CO[C@H]1C(COCc2ccccc2)OCC(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
The InChIKey is IKYUHRQBWTVVLH-PAIGMYNKSA-N. The full InChI is InChI=1S/C28H32O5/c1-29-27-25(20-30-17-22-11-5-2-6-12-22)32-21-26(31-18-23-13-7-3-8-14-23)28(27)33-19-24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25?,26?,27-,28-/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane?
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane has a molecular weight of 448.56 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 135017778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).