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ETH 1001

CAS No.:
58801-34-6
Catalog Number:
AG00EACV
Molecular Formula:
C38H72N2O8
Molecular Weight:
684.9869
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥95%
1 week
United States
$119
- +
10mg
≥95%
1 week
United States
$176
- +
25mg
≥95%
1 week
United States
$322
- +
Product Description
Catalog Number:
AG00EACV
Chemical Name:
ETH 1001
CAS Number:
58801-34-6
Molecular Formula:
C38H72N2O8
Molecular Weight:
684.9869
MDL Number:
MFCD00042943
IUPAC Name:
ethyl 12-[[2-[(2R,3R)-3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yl]oxyacetyl]-methylamino]dodecanoate
InChI:
InChI=1S/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3/t33-,34-/m1/s1
InChI Key:
CJAONIOAQZUHPN-KKLWWLSJSA-N
SMILES:
CCOC(=O)CCCCCCCCCCCN(C(=O)CO[C@@H]([C@H](OCC(=O)N(CCCCCCCCCCCC(=O)OCC)C)C)C)C
EC Number:
261-449-8
Properties
Complexity:
759  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
684.529g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
685g/mol
Monoisotopic Mass:
684.529g/mol
Rotatable Bond Count:
35  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9  
Literature
Title Journal
Development and characterization of an all-solid-state potentiometric biosensor array microfluidic device for multiple ion analysis. Lab on a chip 20061001
Optical biosensor for urea with improved response time. Biosensors & bioelectronics 20030301
Properties