methyl (2S)-2-hydroxy-3-trityloxypropanoate

C23H22O4 — CID 11760225

IUPACmethyl (2S)-2-hydroxy-3-trityloxypropanoate
SMILESCOC(=O)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O4/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3/t21-/m0/s1
InChIKeyHTTQDZDTEQMRIJ-NRFANRHFSA-N
MW362.43 g/mol
LogP3.53
Rot. Bonds7

About methyl (2S)-2-hydroxy-3-trityloxypropanoate

methyl (2S)-2-hydroxy-3-trityloxypropanoate (PubChem CID 11760225) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-3-trityloxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-3-trityloxypropanoate
PubChem CID11760225
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Namemethyl (2S)-2-hydroxy-3-trityloxypropanoate
SMILESCOC(=O)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O4/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3/t21-/m0/s1
InChIKeyHTTQDZDTEQMRIJ-NRFANRHFSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
tert-butyl 2-amino-3-trityloxypropanoate
CID 68760349
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
CID 130195980
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893
(5S)-5-hydroxy-3-oxo-6-trityloxyhexanoate
CID 18642974
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
1-O-benzyl 8-O-methyl (2S,3S)-3-hydroxy-2-(trityloxymethyl)octanedioate
CID 10393151
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-3-trityloxypropanoate?
The IUPAC name of methyl (2S)-2-hydroxy-3-trityloxypropanoate (CID 11760225) is methyl (2S)-2-hydroxy-3-trityloxypropanoate.
What is the SMILES notation for methyl (2S)-2-hydroxy-3-trityloxypropanoate?
The canonical SMILES for methyl (2S)-2-hydroxy-3-trityloxypropanoate is COC(=O)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-hydroxy-3-trityloxypropanoate?
The InChIKey is HTTQDZDTEQMRIJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22O4/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,17H2,1H3/t21-/m0/s1.
What are the key properties of methyl (2S)-2-hydroxy-3-trityloxypropanoate?
methyl (2S)-2-hydroxy-3-trityloxypropanoate has a molecular weight of 362.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-3-trityloxypropanoate is sourced from PubChem (CID 11760225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).