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166668-33-3 molecular structure
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tert-butyl (15E)-17-bromo-4,7,10,13-tetraoxaheptadec-15-enoate

ChemBase ID: 152153
Molecular Formular: C17H31BrO6
Molecular Mass: 411.32844
Monoisotopic Mass: 410.13040071
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)CCOCCOCCOCCOC/C=C/CBr
Canonical SMILES:
BrC/C=C/COCCOCCOCCOCCC(=O)OC(C)(C)C
InChI:
InChI=1S/C17H31BrO6/c1-17(2,3)24-16(19)6-9-21-11-13-23-15-14-22-12-10-20-8-5-4-7-18/h4-5H,6-15H2,1-3H3/b5-4+
InChIKey:
ZCDCGWNGIROULA-SNAWJCMRSA-N

Cite this record

CBID:152153 http://www.chembase.cn/molecule-152153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (15E)-17-bromo-4,7,10,13-tetraoxaheptadec-15-enoate
IUPAC Traditional name
tert-butyl (15E)-17-bromo-4,7,10,13-tetraoxaheptadec-15-enoate
Synonyms
Hycron linker
tert-Butyl trans-17-bromo-4,7,10,13-tetraoxa-15-heptadecenoate
Hycron 连接分子
反式-17-溴-4,7,10,13-四氧杂-15-十七烯酸叔丁酯
CAS Number
166668-33-3
MDL Number
MFCD04040060
Beilstein Number
7214333
PubChem SID
162246298
24890350
PubChem CID
11069636

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
96823 external link Add to cart Please log in.
Data Source Data ID
PubChem 11069636 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2756734  LogD (pH = 7.4) 2.2756734 
Log P 2.2756734  Molar Refractivity 98.1471 cm3
Polarizability 38.134815 Å3 Polar Surface Area 63.22 Å2
Rotatable Bonds 17  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
brown expand Show data source
Density
1.182 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.475 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥95.0% (AT) expand Show data source
Empirical Formula (Hill Notation)
C17H31BrO6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 96823 external link
Other Notes
HYCRON, an allylic anchor for high-efficiency solid phase synthesis of protected peptides and glycopeptides1,2
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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