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Cy5-SE

CAT: 0926-XJC42070-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-XJC42070-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1497420-70-8
Smiles
CS (=O) (=O) C1=NC2=C (N=CC=C2) N=C1Cl
Molecular Formula
C43H58N4O10S2
Molecular Weight
855.1 g/mol
Controlled
No

Chemical Information

CY5-SE triethylamine salt
CAS Number1497420-70-8
PubChem CID154728096
IUPAC NameN,N-diethylethanamine;(2E)-2-[(2E,4E)-5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Molecular FormulaC43H58N4O10S2
Molecular Weight855.1
Topological Polar Surface Area202
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count59
Formal Charge0
Complexity1750
SMILES
CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C\C=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C.CCN(CC)CC
InChI
InChI=1S/C37H43N3O10S2.C6H15N/c1-6-38-29-18-16-25(51(44,45)46)23-27(29)36(2,3)31(38)13-9-7-10-14-32-37(4,5)28-24-26(52(47,48)49)17-19-30(28)39(32)22-12-8-11-15-35(43)50-40-33(41)20-21-34(40)42;1-4-7(5-2)6-3/h7,9-10,13-14,16-19,23-24H,6,8,11-12,15,20-22H2,1-5H3,(H-,44,45,46,47,48,49);4-6H2,1-3H3
InChIKey
IFUMHFCOWWJPSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CY5-SE triethylamine salt
CAS: 1497420-70-8
CID: 154728096
Formula: C43H58N4O10S2
MW: 855.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass854.35943641
Monoisotopic Mass854.35943641
Topological Polar Surface Area202 Ų
Heavy Atom Count59
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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