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Cy7-se

CAS No.:
477908-53-5
Catalog Number:
AG00DB8B
Molecular Formula:
C39H45N3O10S2
Molecular Weight:
779.9187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$196
- +
10mg
98%
1 week
United States
$286
- +
25mg
98%
1 week
United States
$473
- +
Product Description
Catalog Number:
AG00DB8B
Chemical Name:
Cy7-se
CAS Number:
477908-53-5
Molecular Formula:
C39H45N3O10S2
Molecular Weight:
779.9187
MDL Number:
MFCD29472575
IUPAC Name:
(2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
InChI:
InChI=1S/C39H45N3O10S2/c1-6-40-31-20-18-27(53(46,47)48)25-29(31)38(2,3)33(40)15-11-8-7-9-12-16-34-39(4,5)30-26-28(54(49,50)51)19-21-32(30)41(34)24-14-10-13-17-37(45)52-42-35(43)22-23-36(42)44/h7-9,11-12,15-16,18-21,25-26H,6,10,13-14,17,22-24H2,1-5H3,(H-,46,47,48,49,50,51)
InChI Key:
ROGODJHHEBREAB-UHFFFAOYSA-N
SMILES:
CC[N+]1=C(/C=C/C=C/C=C/C=C\2/N(CCCCCC(=O)ON3C(=O)CCC3=O)c3c(C2(C)C)cc(cc3)S(=O)(=O)O)C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C
Properties
Complexity:
1800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
779.255g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
779.92g/mol
Monoisotopic Mass:
779.255g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties