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162103502 molecular structure
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3-tert-butyl 4-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

ChemBase ID: 70326
Molecular Formular: C13H23NO5
Molecular Mass: 273.32542
Monoisotopic Mass: 273.15762284
SMILES and InChIs

SMILES:
O1C(N([C@H]([C@H]1C)C(=O)OC)C(=O)OC(C)(C)C)(C)C
Canonical SMILES:
COC(=O)[C@H]1[C@@H](C)OC(N1C(=O)OC(C)(C)C)(C)C
InChI:
InChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3/t8-,9-/m1/s1
InChIKey:
FRSJJRXFHYGDSO-RKDXNWHRSA-N

Cite this record

CBID:70326 http://www.chembase.cn/molecule-70326.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-tert-butyl 4-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
IUPAC Traditional name
3-tert-butyl 4-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
Synonyms
(4R,5R)-3-tert-Butyl 4-methyl 2,2,5-trimethyl-oxazolidine-3,4-dicarboxylate
PubChem SID
162103502
PubChem CID
39871801

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
075859 external link Add to cart Please log in.
Data Source Data ID
PubChem 39871801 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7119193  LogD (pH = 7.4) 1.7119193 
Log P 1.7119193  Molar Refractivity 68.4544 cm3
Polarizability 27.389286 Å3 Polar Surface Area 65.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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