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Rhod-2 (potassium salt)

CAT: 0013-GTR19297160Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19297160Size:1 mg
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Description
Rhod-2 (potassium salt)
CAS Number
663625-18-1
Molecular Weight
869.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,2'-((2-(2-(2-(bis(carboxylatomethyl)amino)-5-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)phenoxy)ethoxy)-4-methylphenyl)azanediyl)diacetate,tripotassiumsalt
CAS Number663625-18-1
PubChem CID132285226
IUPAC Nametripotassium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate
Molecular FormulaC40H39K3N4O11
Molecular Weight869.1
Topological Polar Surface Area201
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Heavy Atom Count58
Formal Charge0
Complexity1450
SMILES
CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+]
InChI
InChI=1S/C40H42N4O11.3K/c1-24-6-12-30(43(20-36(45)46)21-37(47)48)34(16-24)53-14-15-54-35-17-25(7-13-31(35)44(22-38(49)50)23-39(51)52)40-28-10-8-26(41(2)3)18-32(28)55-33-19-27(42(4)5)9-11-29(33)40;;;/h6-13,16-19H,14-15,20-23H2,1-5H3,(H3-,45,46,47,48,49,50,51,52);;;/q;3*+1/p-3
InChIKey
ZFYWHSXZMYZBNV-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of 2,2'-((2-(2-(2-(bis(carboxylatomethyl)amino)-5-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)phenoxy)ethoxy)-4-methylphenyl)azanediyl)diacetate,tripotassiumsalt
CAS: 663625-18-1
CID: 132285226
Formula: C40H39K3N4O11
MW: 869.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight869.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count13
Exact Mass868.1526525
Monoisotopic Mass868.1526525
Topological Polar Surface Area201 Ų
Heavy Atom Count58
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes