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

C25H26O4 — CID 124849930

IUPACmethyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate
SMILESCOC(=O)[C@@](C)(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O4/c1-24(18-26,23(27)28-2)19-29-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,26H,18-19H2,1-2H3/t24-/m0/s1
InChIKeyPSAPJICIAGYZNW-DEOSSOPVSA-N
MW390.48 g/mol
LogP4.17
Rot. Bonds8

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

methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate (PubChem CID 124849930) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate
PubChem CID124849930
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Namemethyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate
SMILESCOC(=O)[C@@](C)(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O4/c1-24(18-26,23(27)28-2)19-29-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,26H,18-19H2,1-2H3/t24-/m0/s1
InChIKeyPSAPJICIAGYZNW-DEOSSOPVSA-N
XLogP4.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.17
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

methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849278
propan-2-yl 2,2-dimethyl-3-trityloxypropanoate
CID 135147480
methyl 2-methyl-2-phenylbutanoate
CID 562613
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
[2-acetyl-2-(hydroxymethyl)-3-oxobutyl] 2,2-dimethylpropanoate;[2-acetyl-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxobutyl] 2,2-dimethylpropanoate;3,3-bis(hydroxymethyl)pentane-2,4-dione;3-(hydroxymethyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]pentane-2,4-dione
CID 159087065
methyl (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylbutanoate
CID 23234237
CID 91481469
CID 91481469
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-2-methyl-N-[3-(naphthalen-1-yldiazenyl)phenyl]propanamide
CID 15539623
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 5-trityloxypentanoate
CID 171841896

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate?
The IUPAC name of methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate (CID 124849930) is methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate.
What is the SMILES notation for methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate?
The canonical SMILES for methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate is COC(=O)[C@@](C)(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate?
The InChIKey is PSAPJICIAGYZNW-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26O4/c1-24(18-26,23(27)28-2)19-29-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,26H,18-19H2,1-2H3/t24-/m0/s1.
What are the key properties of methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate?
methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate has a molecular weight of 390.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate is sourced from PubChem (CID 124849930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).