Home > Compound List > Compound details
76855-69-1 molecular structure
click picture or here to close

(3R)-3-[(1R)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-4-oxoazetidin-2-yl acetate

ChemBase ID: 300958
Molecular Formular: C13H25NO4Si
Molecular Mass: 287.4274
Monoisotopic Mass: 287.15528482
SMILES and InChIs

SMILES:
C[C@H]([C@@H]1C(NC1=O)OC(=O)C)O[Si](C)(C)C(C)(C)C
Canonical SMILES:
CC(=O)OC1NC(=O)[C@@H]1[C@H](O[Si](C(C)(C)C)(C)C)C
InChI:
InChI=1S/C13H25NO4Si/c1-8(18-19(6,7)13(3,4)5)10-11(16)14-12(10)17-9(2)15/h8,10,12H,1-7H3,(H,14,16)/t8-,10+,12?/m1/s1
InChIKey:
GWHDKFODLYVMQG-RWPGAEDHSA-N

Cite this record

CBID:300958 http://www.chembase.cn/molecule-300958.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-[(1R)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-4-oxoazetidin-2-yl acetate
IUPAC Traditional name
(3R)-3-[(1R)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-4-oxoazetidin-2-yl acetate
Synonyms
[3R(1'R,4R)]-(+)-4-Acetoxy-3-[1-(tert-butyldimethylsilyloxy)ethyl]-2-azetidinone
(3R,4R)-(+)-4-Acetoxy-3-[1-(R)-(tert-butyldimethylsilyloxy)ethyl]-2-azetidinone
CAS Number
76855-69-1
EC Number
408-050-9
MDL Number
MFCD00077636

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H59776 external link Add to cart
Data Source Data ID Price
Alfa Aesar
H59776 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.6731825  H Acceptors
H Donor LogD (pH = 5.5) 1.6648973 
LogD (pH = 7.4) 1.6646852  Log P 1.6649 
Molar Refractivity 68.3004 cm3 Polarizability 29.597801 Å3
Polar Surface Area 64.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
107-109°C expand Show data source
Optical Rotation
+51 (c=1 in chloroform) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3077 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
36-43-51/53 expand Show data source
Safety Statements
24-26-37-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H319-H317-H411 expand Show data source
GHS Precautionary statements
P261-P280-P305+P351+P338-P302+P352-P321-P501A expand Show data source
Purity
98% 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