(2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane

C28H32O5 — CID 10503640

IUPAC(2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25-,26+,27-,28+/m1/s1
InChIKeyQTDLREJYMFIJBR-GSQIWVKLSA-N
MW448.56 g/mol
LogP5.13
Rot. Bonds10

About (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane

(2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 10503640) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane
PubChem CID10503640
Molecular FormulaC28H32O5
Molecular Weight448.56 g/mol
Exact Mass448.22
IUPAC Name(2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H32O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25-,26+,27-,28+/m1/s1
InChIKeyQTDLREJYMFIJBR-GSQIWVKLSA-N
XLogP5.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane (CID 10503640) is (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane is CO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is QTDLREJYMFIJBR-GSQIWVKLSA-N. The full InChI is InChI=1S/C28H32O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25-,26+,27-,28+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
(2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 448.56 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 10503640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).