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Cy7 NHS ester

CAT: 0013-GTR19340463-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19340463-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cy7 NHS ester is a fluorescent dye utilized in fluorescence imaging studies.
CAS Number
1432019-64-1
Molecular Weight
682.291
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyanine7 NHS ester
CAS Number1432019-64-1
PubChem CID155890959
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[3,3-dimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indol-1-yl]hexanoate chloride
Molecular FormulaC41H48ClN3O4
Molecular Weight682.3
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count49
Formal Charge0
Complexity1410
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)ON6C(=O)CCC6=O)(C)C)CCC3)C)C.[Cl-]
InChI
InChI=1S/C41H48N3O4.ClH/c1-40(2)31-16-8-10-18-33(31)42(5)35(40)23-21-29-14-13-15-30(28-29)22-24-36-41(3,4)32-17-9-11-19-34(32)43(36)27-12-6-7-20-39(47)48-44-37(45)25-26-38(44)46;/h8-11,16-19,21-24,28H,6-7,12-15,20,25-27H2,1-5H3;1H/q+1;/p-1
InChIKey
MXDFEUGSONIEHS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Cyanine7 NHS ester
CAS: 1432019-64-1
CID: 155890959
Formula: C41H48ClN3O4
MW: 682.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass681.3333347
Monoisotopic Mass681.3333347
Topological Polar Surface Area69.9 Ų
Heavy Atom Count49
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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