(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol

C27H30O5 — CID 122386595

IUPAC(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILESCC1(O)OCC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c1-27(28)26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(20-32-27)29-17-21-11-5-2-6-12-21/h2-16,24-26,28H,17-20H2,1H3/t24?,25-,26+,27?/m0/s1
InChIKeyGYRXWZUCMIVSOD-RUZKSTDQSA-N
MW434.53 g/mol
LogP4.48
Rot. Bonds9

About (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol

(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol (PubChem CID 122386595) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
PubChem CID122386595
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILESCC1(O)OCC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c1-27(28)26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(20-32-27)29-17-21-11-5-2-6-12-21/h2-16,24-26,28H,17-20H2,1H3/t24?,25-,26+,27?/m0/s1
InChIKeyGYRXWZUCMIVSOD-RUZKSTDQSA-N
XLogP4.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

Analyze (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol 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

(3R,4S,5R)-2-bromo-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 54179875
(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 14427833
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
CID 145031681
(5S,6S,7R,8R)-7-fluoro-2,2-dimethyl-8-phenylmethoxy-1,3,10-trioxaspiro[4.5]decan-6-ol
CID 134933768
(1S,4S,5R,6S)-1-methyl-5,6-bis(phenylmethoxy)-2,7-dioxabicyclo[2.2.1]heptane
CID 11370807
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(1S,4R,5R,6R)-7,7-dichloro-4,5-bis(phenylmethoxy)-2-oxabicyclo[4.1.0]heptane
CID 10595861
(1R,2R,3S,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 102374432
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-[(1R,2S,3R)-2,3-bis(phenylmethoxy)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132577301
(5S,6S,7R,8R)-2,2-dimethyl-6,7-bis(phenylmethoxy)-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101138684

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The IUPAC name of (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol (CID 122386595) is (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol is CC1(O)OCC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The InChIKey is GYRXWZUCMIVSOD-RUZKSTDQSA-N. The full InChI is InChI=1S/C27H30O5/c1-27(28)26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(20-32-27)29-17-21-11-5-2-6-12-21/h2-16,24-26,28H,17-20H2,1H3/t24?,25-,26+,27?/m0/s1.
What are the key properties of (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol?
(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol has a molecular weight of 434.53 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 122386595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).