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Citrulline-specific Probe-Rhodamine

CAT: 0013-GTR19343124-01Size: 250 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19343124-01Size:250 µg
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Description
Citrulline-specific Probe-Rhodamine
CAS Number
2309313-01-5
Field of Research
Pharmacology & Drug Discovery
Molecular Weight
731.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rhodamine Phenylglyoxal Hydrate
CAS Number2309313-01-5
PubChem CID132285164
IUPAC Name3',6'-bis(dimethylamino)-N-[[1-[1-(3-oxaldehydoylanilino)-1-oxopropan-2-yl]triazol-4-yl]methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide;hydrate
Molecular FormulaC39H37N7O8
Molecular Weight731.8
Topological Polar Surface Area166
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count54
Formal Charge0
Complexity1360
SMILES
CC(C(=O)NC1=CC=CC(=C1)C(=O)C=O)N2C=C(N=N2)CNC(=O)C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)N(C)C)OC7=C5C=CC(=C7)N(C)C)OC4=O.O
InChI
InChI=1S/C39H35N7O7.H2O/c1-22(36(49)41-25-8-6-7-23(15-25)33(48)21-47)46-20-26(42-43-46)19-40-37(50)24-9-12-30-29(16-24)38(51)53-39(30)31-13-10-27(44(2)3)17-34(31)52-35-18-28(45(4)5)11-14-32(35)39;/h6-18,20-22H,19H2,1-5H3,(H,40,50)(H,41,49);1H2
InChIKey
CHONNVSIRGWDEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rhodamine Phenylglyoxal Hydrate
CAS: 2309313-01-5
CID: 132285164
Formula: C39H37N7O8
MW: 731.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight731.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass731.27036116
Monoisotopic Mass731.27036116
Topological Polar Surface Area166 Ų
Heavy Atom Count54
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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