(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one

C26H28O4 — CID 10024186

IUPAC(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
SMILESC[C@H](O)[C@H](OCc1ccccc1)[C@H](CC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H28O4/c1-20(27)26(30-19-22-13-7-3-8-14-22)25(29-18-21-11-5-2-6-12-21)17-24(28)23-15-9-4-10-16-23/h2-16,20,25-27H,17-19H2,1H3/t20-,25-,26-/m0/s1
InChIKeyYTDXXSNUYMROOJ-XZZVZQAVSA-N
MW404.51 g/mol
LogP4.81
Rot. Bonds11

About (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one

(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one (PubChem CID 10024186) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one.

Molecular Properties

Compound Name(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
PubChem CID10024186
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
SMILESC[C@H](O)[C@H](OCc1ccccc1)[C@H](CC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H28O4/c1-20(27)26(30-19-22-13-7-3-8-14-22)25(29-18-21-11-5-2-6-12-21)17-24(28)23-15-9-4-10-16-23/h2-16,20,25-27H,17-19H2,1H3/t20-,25-,26-/m0/s1
InChIKeyYTDXXSNUYMROOJ-XZZVZQAVSA-N
XLogP4.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-oxo-6-phenyl-1,3,4-tris(phenylmethoxy)hexan-2-yl] benzoate
CID 5084613
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,3S,4S,5R)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanoyl fluoride
CID 90726684
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2E,5R)-2-ethylidene-5-hydroxy-4-phenylmethoxyhexanoic acid
CID 147266246
(4S,5R)-4-hydroxy-6-methyl-5-phenylmethoxyheptan-2-one
CID 102255359
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
[(2R,3R,4R,5S)-2,3,4,5-tetrakis(phenylmethoxy)-6-propanoyloxyhexyl] propanoate
CID 167144850
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
3-hydroxy-4-phenylmethoxyhexanoic acid
CID 70028361

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one?
The IUPAC name of (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one (CID 10024186) is (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one.
What is the SMILES notation for (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one?
The canonical SMILES for (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one is C[C@H](O)[C@H](OCc1ccccc1)[C@H](CC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one?
The InChIKey is YTDXXSNUYMROOJ-XZZVZQAVSA-N. The full InChI is InChI=1S/C26H28O4/c1-20(27)26(30-19-22-13-7-3-8-14-22)25(29-18-21-11-5-2-6-12-21)17-24(28)23-15-9-4-10-16-23/h2-16,20,25-27H,17-19H2,1H3/t20-,25-,26-/m0/s1.
What are the key properties of (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one?
(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one has a molecular weight of 404.51 g/mol, XLogP of 4.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one is sourced from PubChem (CID 10024186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).