(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol

C20H24O4 — CID 10042151

IUPAC(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
SMILESC[C@H]1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O)O1
InChIInChI=1S/C20H24O4/c1-15-12-18(22-13-16-8-4-2-5-9-16)19(20(21)24-15)23-14-17-10-6-3-7-11-17/h2-11,15,18-21H,12-14H2,1H3/t15-,18+,19-,20-/m0/s1
InChIKeyVYQVKGQQYCJUGT-LDTOTXGLSA-N
MW328.41 g/mol
LogP3.28
Rot. Bonds6

About (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol

(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol (PubChem CID 10042151) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
PubChem CID10042151
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
SMILESC[C@H]1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O)O1
InChIInChI=1S/C20H24O4/c1-15-12-18(22-13-16-8-4-2-5-9-16)19(20(21)24-15)23-14-17-10-6-3-7-11-17/h2-11,15,18-21H,12-14H2,1H3/t15-,18+,19-,20-/m0/s1
InChIKeyVYQVKGQQYCJUGT-LDTOTXGLSA-N
XLogP3.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol with MolForge

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Related Compounds

(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
[(2R,6R)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 174272359
2-[(2S,3S,5S)-5-methyl-3-phenylmethoxyoxolan-2-yl]acetic acid
CID 23726629
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(2,6-dimethyl-3-phenylmethoxyoxan-4-yl) acetate
CID 59913097
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol?
The IUPAC name of (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol (CID 10042151) is (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol is C[C@H]1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](O)O1.
What is the InChIKey of (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol?
The InChIKey is VYQVKGQQYCJUGT-LDTOTXGLSA-N. The full InChI is InChI=1S/C20H24O4/c1-15-12-18(22-13-16-8-4-2-5-9-16)19(20(21)24-15)23-14-17-10-6-3-7-11-17/h2-11,15,18-21H,12-14H2,1H3/t15-,18+,19-,20-/m0/s1.
What are the key properties of (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol?
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 10042151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).