methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate

C21H26O5 — CID 10737104

IUPACmethyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate
SMILESCC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)C(=O)OC
InChIInChI=1S/C21H26O5/c1-3-18(25-14-16-10-6-4-7-11-16)20(19(22)21(23)24-2)26-15-17-12-8-5-9-13-17/h4-13,18-20,22H,3,14-15H2,1-2H3/t18-,19+,20+/m0/s1
InChIKeyWLIAWYDWHANENB-XUVXKRRUSA-N
MW358.43 g/mol
LogP3.10
Rot. Bonds10

About methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate

methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate (PubChem CID 10737104) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate
PubChem CID10737104
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Namemethyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate
SMILESCC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)C(=O)OC
InChIInChI=1S/C21H26O5/c1-3-18(25-14-16-10-6-4-7-11-16)20(19(22)21(23)24-2)26-15-17-12-8-5-9-13-17/h4-13,18-20,22H,3,14-15H2,1-2H3/t18-,19+,20+/m0/s1
InChIKeyWLIAWYDWHANENB-XUVXKRRUSA-N
XLogP3.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate 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

3-hydroxy-4-phenylmethoxyhexanoic acid
CID 70028361
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
[(2R,3R,4R,5S)-2,3,4,5-tetrakis(phenylmethoxy)-6-propanoyloxyhexyl] propanoate
CID 167144850
methyl (2S,3S,4R)-2-hydroxy-3,5-dimethyl-4-(phenylmethoxymethoxy)hexanoate
CID 11209097
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
CID 134539051
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
CID 10024186
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate?
The IUPAC name of methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate (CID 10737104) is methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate.
What is the SMILES notation for methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate?
The canonical SMILES for methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate is CC[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)C(=O)OC.
What is the InChIKey of methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate?
The InChIKey is WLIAWYDWHANENB-XUVXKRRUSA-N. The full InChI is InChI=1S/C21H26O5/c1-3-18(25-14-16-10-6-4-7-11-16)20(19(22)21(23)24-2)26-15-17-12-8-5-9-13-17/h4-13,18-20,22H,3,14-15H2,1-2H3/t18-,19+,20+/m0/s1.
What are the key properties of methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate?
methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate has a molecular weight of 358.43 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hexanoate is sourced from PubChem (CID 10737104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).