[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol

C27H30O4 — CID 90128354

IUPAC[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESCC1[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@H](c2ccccc2)O[C@@H]1CO
InChIInChI=1S/C27H30O4/c1-20-24(17-28)31-26(23-15-9-4-10-16-23)27(30-19-22-13-7-3-8-14-22)25(20)29-18-21-11-5-2-6-12-21/h2-16,20,24-28H,17-19H2,1H3/t20?,24-,25+,26+,27?/m1/s1
InChIKeyAFTBWGNZHRSPMF-MTAUNMHSSA-N
MW418.53 g/mol
LogP4.93
Rot. Bonds8

About [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol

[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 90128354) has the molecular formula C27H30O4 and a molecular weight of 418.53 g/mol. Its IUPAC name is [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID90128354
Molecular FormulaC27H30O4
Molecular Weight418.53 g/mol
Exact Mass418.21
IUPAC Name[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESCC1[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@H](c2ccccc2)O[C@@H]1CO
InChIInChI=1S/C27H30O4/c1-20-24(17-28)31-26(23-15-9-4-10-16-23)27(30-19-22-13-7-3-8-14-22)25(20)29-18-21-11-5-2-6-12-21/h2-16,20,24-28H,17-19H2,1H3/t20?,24-,25+,26+,27?/m1/s1
InChIKeyAFTBWGNZHRSPMF-MTAUNMHSSA-N
XLogP4.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
[(3R,4S,6R)-6-[(2R,5S)-6-(hydroxymethyl)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 70905902
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol
CID 132850641
[4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methanol
CID 23572743
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol (CID 90128354) is [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol is CC1[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@H](c2ccccc2)O[C@@H]1CO.
What is the InChIKey of [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is AFTBWGNZHRSPMF-MTAUNMHSSA-N. The full InChI is InChI=1S/C27H30O4/c1-20-24(17-28)31-26(23-15-9-4-10-16-23)27(30-19-22-13-7-3-8-14-22)25(20)29-18-21-11-5-2-6-12-21/h2-16,20,24-28H,17-19H2,1H3/t20?,24-,25+,26+,27?/m1/s1.
What are the key properties of [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 418.53 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 90128354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).