Cy5 maleimide

CAT: 0127-BUP02129-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02129-01Size:1 mg

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CAS Number

1437796-65-0

Synonyms

Cyanine 5 maleimide

MDL Number

MFCD28385511

Purity

=98%

Smiles

[Cl-].O=C1C=CC(=O)N1CCNC(=O)CCCCCN2C=3C=CC=CC3C(C2=CC=CC=CC4=[N+](C=5C=CC=CC5C4(C)C)C)(C)C

Storage Conditions

Store at -20°C

Chemical Information

3H-Indolium, 2-(5-(1-(6-((2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl)-1,3,3-trimethyl-, chloride (1:1)

CAS Number	1437796-65-0
PubChem CID	91757870
IUPAC Name	6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexanamide chloride
Molecular Formula	C38H45ClN4O3
Molecular Weight	641.2
Topological Polar Surface Area	72.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	46
Formal Charge	0
Complexity	1270

SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCCCCC(=O)NCCN5C(=O)C=CC5=O)(C)C)C)C.[Cl-]

InChI

InChI=1S/C38H44N4O3.ClH/c1-37(2)28-16-11-13-18-30(28)40(5)32(37)20-8-6-9-21-33-38(3,4)29-17-12-14-19-31(29)41(33)26-15-7-10-22-34(43)39-25-27-42-35(44)23-24-36(42)45;/h6,8-9,11-14,16-21,23-24H,7,10,15,22,25-27H2,1-5H3;1H

InChIKey

IATQCUIJHBSCGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1437796-65-0

CID: 91757870

Formula: C38H45ClN4O3

MW: 641.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	641.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	640.3180190
Monoisotopic Mass	640.3180190
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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