5-Maleimido-eosin

CAT: 0127-OR1075429Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

150322-02-4

Purity

98%

Smiles

O=C1OC2(C3=CC(Br)=C(C(Br)=C3OC4=C(C(O)=C(C=C42)Br)Br)O)C5=CC=C(N6C(C=CC6=O)=O)C=C15

Chemical Information

5-Maleimidoeosin

CAS Number	150322-02-4
PubChem CID	5091656
IUPAC Name	5-(2,5-dioxopyrrol-1-yl)-2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Molecular Formula	C24H9Br4NO7
Molecular Weight	742.9
XLogP	4.7
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	36
Formal Charge	0
Complexity	1170

SMILES

C1=CC(=C(C=C1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=C(C(=O)C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)Br

InChI

InChI=1S/C24H9Br4NO7/c25-13-6-11-17(9-2-1-8(5-10(9)24(34)35)29-15(30)3-4-16(29)31)12-7-14(26)21(33)19(28)23(12)36-22(11)18(27)20(13)32/h1-7,32H,(H,34,35)

InChIKey

HHXBZYYFXVVANX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150322-02-4

CID: 5091656

Formula: C24H9Br4NO7

MW: 742.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	742.9
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	742.70715
Monoisotopic Mass	738.71125
Topological Polar Surface Area	121 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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5-Maleimido-eosin

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