Home > Compound List > Compound details
145451-93-0 molecular structure
click picture or here to close

methyl (4R,5S)-3-benzyl-4-{[(tert-butyldimethylsilyl)oxy]methyl}-5-(propan-2-yl)-1,3-oxazolidine-4-carboxylate

ChemBase ID: 161460
Molecular Formular: C22H37NO4Si
Molecular Mass: 407.61898
Monoisotopic Mass: 407.2491852
SMILES and InChIs

SMILES:
[C@]1(N(CO[C@H]1C(C)C)Cc1ccccc1)(CO[Si](C)(C)C(C)(C)C)C(=O)OC
Canonical SMILES:
COC(=O)[C@]1(CO[Si](C(C)(C)C)(C)C)N(CO[C@H]1C(C)C)Cc1ccccc1
InChI:
InChI=1S/C22H37NO4Si/c1-17(2)19-22(20(24)25-6,15-27-28(7,8)21(3,4)5)23(16-26-19)14-18-12-10-9-11-13-18/h9-13,17,19H,14-16H2,1-8H3/t19-,22+/m0/s1
InChIKey:
OFXLEKMBGYYVLF-SIKLNZKXSA-N

Cite this record

CBID:161460 http://www.chembase.cn/molecule-161460.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (4R,5S)-3-benzyl-4-{[(tert-butyldimethylsilyl)oxy]methyl}-5-(propan-2-yl)-1,3-oxazolidine-4-carboxylate
IUPAC Traditional name
methyl (4R,5S)-3-benzyl-4-{[(tert-butyldimethylsilyl)oxy]methyl}-5-isopropyl-1,3-oxazolidine-4-carboxylate
Synonyms
(4R-trans)-4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-5-(1-methylethyl)-3-(phenylmethyl)-4-oxazolidinecarboxylic Acid Methyl Ester
(4R,5S)-3-N-Benzyl-4-(t-butyldimethylsilyloxymethyl)-5-isopropyloxazoladine-4-carboxylic Acid, Methyl Ester
CAS Number
145451-93-0
PubChem SID
162255595
PubChem CID
10982413

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B233530 external link Add to cart
PubChem 10982413 external link
Data Source Data ID Price
TRC
B233530 external link Add to cart Please log in.
Data Source Data ID
PubChem 10982413 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9838233  LogD (pH = 7.4) 4.9917974 
Log P 4.9919  Molar Refractivity 108.6032 cm3
Polarizability 45.66968 Å3 Polar Surface Area 48.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle