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CyDye DIGE Fluor Cy 2 Cation

CAT: 0572-TRC-C989180-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989180-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
350686-86-1
Hazard Statement
No Data Available
Smiles
CC[n+]1c(oc2ccccc12)\C=C\C=C\3/Oc4ccccc4N3Cc5ccc(CC(=O)ON6C(=O)CCC6=O)cc5
Molecular Formula
C32 H28 N3 O6
Molecular Weight
550.581
InChI
InChI=1S/C32H28N3O6/c1-2-33-24-8-3-5-10-26(24)39-30(33)12-7-13-31-34(25-9-4-6-11-27(25)40-31)21-23-16-14-22(15-17-23)20-32(38)41-35-28(36)18-19-29(35)37/h3-17H,2,18-21H2,1H3/q+1
Additionnal Information
IUPAC name: (2,5-dioxopyrrolidin-1-yl) 2-[4-[[(2Z)-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazol-3-yl]methyl]phenyl]acetate
Shipping Conditions
Room Temperature

Chemical Information

(2,5-dioxopyrrolidin-1-yl) 2-[4-[[2-[(E,3Z)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetate
CAS Number350686-86-1
PubChem CID11180381
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[[2-[(E,3Z)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetate
Molecular FormulaC32H28N3O6+
Molecular Weight550.6
XLogP5.4
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge1
Complexity1020
SMILES
CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CC5=CC=C(C=C5)CC(=O)ON6C(=O)CCC6=O
InChI
InChI=1S/C32H28N3O6/c1-2-33-24-8-3-5-10-26(24)39-30(33)12-7-13-31-34(25-9-4-6-11-27(25)40-31)21-23-16-14-22(15-17-23)20-32(38)41-35-28(36)18-19-29(35)37/h3-17H,2,18-21H2,1H3/q+1
InChIKey
VLUVLNQHXUOBJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,5-dioxopyrrolidin-1-yl) 2-[4-[[2-[(E,3Z)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetate
CAS: 350686-86-1
CID: 11180381
Formula: C32H28N3O6+
MW: 550.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass550.19781062
Monoisotopic Mass550.19781062
Topological Polar Surface Area93.2 Ų
Heavy Atom Count41
Formal Charge1
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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445398CyDye DIGE Fluor Cy 2 Cation
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25800860CyDye DIGE Fluor Cy2 minimal dye 10nmol - EACH
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