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Sulfo-Cy5-Mal

CAT: 0607-C8355-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C8355-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2130955-10-9
Form
A solid
Molecular Formula
C38H44N4O9S2
Molecular Weight
764.91
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

2-[(1E,3E,5Z)-5-[1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-1,3,3-trimethylindol-1-ium-5-sulfonate
CAS Number2130955-10-9
PubChem CID177669145
IUPAC Name2-[(1E,3E,5Z)-5-[1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-1,3,3-trimethylindol-1-ium-5-sulfonate
Molecular FormulaC38H44N4O9S2
Molecular Weight764.9
XLogP3.3
Topological Polar Surface Area201
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count53
Formal Charge0
Complexity1790
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)NCCN5C(=O)C=CC5=O)C=CC(=C4)S(=O)(=O)O)(C)C)C)C
InChI
InChI=1S/C38H44N4O9S2/c1-37(2)28-24-26(52(46,47)48)15-17-30(28)40(5)32(37)12-8-6-9-13-33-38(3,4)29-25-27(53(49,50)51)16-18-31(29)41(33)22-11-7-10-14-34(43)39-21-23-42-35(44)19-20-36(42)45/h6,8-9,12-13,15-20,24-25H,7,10-11,14,21-23H2,1-5H3,(H2-,39,43,46,47,48,49,50,51)
InChIKey
OLRTZDDIXXDJPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(1E,3E,5Z)-5-[1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-1,3,3-trimethylindol-1-ium-5-sulfonate
CAS: 2130955-10-9
CID: 177669145
Formula: C38H44N4O9S2
MW: 764.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight764.9
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass764.25497134
Monoisotopic Mass764.25497134
Topological Polar Surface Area201 Ų
Heavy Atom Count53
Formal Charge0
Complexity1790
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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