1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol

C35H38O6 — CID 134423079

IUPAC1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
SMILESCC(O)C1O[C@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C35H38O6/c1-26(36)31-32(37-22-27-14-6-2-7-15-27)33(38-23-28-16-8-3-9-17-28)34(39-24-29-18-10-4-11-19-29)35(41-31)40-25-30-20-12-5-13-21-30/h2-21,26,31-36H,22-25H2,1H3/t26?,31?,32-,33?,34?,35+/m1/s1
InChIKeyUMFGCDAAXSIKNT-OHXNCJJDSA-N
MW554.68 g/mol
LogP6.07
Rot. Bonds13

About 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol

1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol (PubChem CID 134423079) has the molecular formula C35H38O6 and a molecular weight of 554.68 g/mol. Its IUPAC name is 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
PubChem CID134423079
Molecular FormulaC35H38O6
Molecular Weight554.68 g/mol
Exact Mass554.27
IUPAC Name1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
SMILESCC(O)C1O[C@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C35H38O6/c1-26(36)31-32(37-22-27-14-6-2-7-15-27)33(38-23-28-16-8-3-9-17-28)34(39-24-29-18-10-4-11-19-29)35(41-31)40-25-30-20-12-5-13-21-30/h2-21,26,31-36H,22-25H2,1H3/t26?,31?,32-,33?,34?,35+/m1/s1
InChIKeyUMFGCDAAXSIKNT-OHXNCJJDSA-N
XLogP6.07
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.68
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-yn-1-ol
CID 132597133
(1S)-1-[(4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol
CID 177392606
1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone
CID 68987679
N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 90113505
ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate
CID 101049456
(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
CID 56606677
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol?
The IUPAC name of 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol (CID 134423079) is 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol.
What is the SMILES notation for 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol?
The canonical SMILES for 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol is CC(O)C1O[C@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol?
The InChIKey is UMFGCDAAXSIKNT-OHXNCJJDSA-N. The full InChI is InChI=1S/C35H38O6/c1-26(36)31-32(37-22-27-14-6-2-7-15-27)33(38-23-28-16-8-3-9-17-28)34(39-24-29-18-10-4-11-19-29)35(41-31)40-25-30-20-12-5-13-21-30/h2-21,26,31-36H,22-25H2,1H3/t26?,31?,32-,33?,34?,35+/m1/s1.
What are the key properties of 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol?
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol has a molecular weight of 554.68 g/mol, XLogP of 6.07, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol is sourced from PubChem (CID 134423079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).