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Sulfo-Cy5 Azide

CAT: 0024-sc-496977Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-496977Size:1 mg
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CAS Number
1782950-80-4

Chemical Information

Sulfo-Cy5 azide
CAS Number1782950-80-4
PubChem CID146680155
IUPAC Name2-[(1E,3E,5E)-5-[1-[6-(3-azidopropylamino)-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
Molecular FormulaC37H48N6O10S3
Molecular Weight833.0
XLogP4.5
Topological Polar Surface Area241
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Heavy Atom Count56
Formal Charge0
Complexity1910
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCCN=[N+]=[N-])C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C
InChI
InChI=1S/C37H48N6O10S3/c1-36(2)29-25-27(55(48,49)50)16-18-31(29)42(22-10-6-9-15-35(44)39-20-11-21-40-41-38)33(36)13-7-5-8-14-34-37(3,4)30-26-28(56(51,52)53)17-19-32(30)43(34)23-12-24-54(45,46)47/h5,7-8,13-14,16-19,25-26H,6,9-12,15,20-24H2,1-4H3,(H3-,39,44,45,46,47,48,49,50,51,52,53)
InChIKey
DUWZWZJMKCNGSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfo-Cy5 azide
CAS: 1782950-80-4
CID: 146680155
Formula: C37H48N6O10S3
MW: 833.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight833.0
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass832.25940527
Monoisotopic Mass832.25940527
Topological Polar Surface Area241 Ų
Heavy Atom Count56
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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