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Lissamine rhodamine B

CAT: 0127-OR1005034Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2609-88-3
Purity
98%
Smiles
O=S(C1=CC=C(C2=C3C=CC(N(CC)CC)=CC3=[O+]C4=C2C=CC(N(CC)CC)=C4)C(S(=O)([O-])=O)=C1)(O)=O

Chemical Information

Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt

RN given refers to parent cpd; Lissamine Rhodamine B refers to Na salt

CAS Number2609-88-3
PubChem CID65191
IUPAC Name2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate
Molecular FormulaC27H30N2O7S2
Molecular Weight558.7
XLogP2.2
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity1170
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]
InChI
InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)
InChIKey
IOOMXAQUNPWDLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanthylium, 3,6-bis(diethylamino)-9-(2,4-disulfophenyl)-, inner salt
CAS: 2609-88-3
CID: 65191
Formula: C27H30N2O7S2
MW: 558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.7
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass558.14944365
Monoisotopic Mass558.14944365
Topological Polar Surface Area144 Ų
Heavy Atom Count38
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
JH269395Lissamine rhodamine
MBS5756535Lissamine rhodamine B
GTR19302957-01Palmitic acid - lissamine rhodamine
598997Lissamine rhodamine B sulfonyl chloride
L03588-01Lissamine Rhodamine C.I. No.45100
HY-175046C12 Lissamine-rhodamine galactosylceramide (d18:1/12:0)
DPG-6107Lissamine Rhodamine B Sulfonamide-dPEG®4-Acid
GTR19351449-0116:0-LR/18:1/18:1 TG - Lissamine rhodamine
23306-AATRhodamine DHPE [Lissamine™ Rhodamine B 1,2-Dihexadecanoyl-sn-Glycero-3-Phosphoethanolamine, Triethylammonium Salt]
470-AATLissamine Rhodamine B Sulfonyl Chloride [Sulforhodamine B sulfonyl chloride] *CAS 62796-29-6*

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