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

C28H32O5 — CID 11037694

IUPAC(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCO[C@H]1O[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m0/s1
InChIKeyOPOSOZAEZRCTBP-LJWNLINESA-N
MW448.56 g/mol
LogP5.14
Rot. Bonds11

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

(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 11037694) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID11037694
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCO[C@H]1O[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m0/s1
InChIKeyOPOSOZAEZRCTBP-LJWNLINESA-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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Related Compounds

(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 70223626
2-[(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethyl-trimethylsilane
CID 67584239
(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxane
CID 70186984
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
(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
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 11037694) is (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is CO[C@H]1O[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is OPOSOZAEZRCTBP-LJWNLINESA-N. The full InChI is InChI=1S/C28H32O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m0/s1.
What are the key properties of (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(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 (2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 11037694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).