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6-CFDA N-succinimidyl ester

CAT: 0127-BUP13112-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13112-01Size:5 mg
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CAS Number
150206-15-8
Synonyms
Carboxyfluorescein diacetate succinimidyl
Purity
=95%
Smiles
O=C1OC2(C=3C1=CC=C(C(ON4C(=O)CCC4=O)=O)C3)C=5C(OC=6C2=CC=C(OC(C)=O)C6)=CC(OC(C)=O)=CC5

Chemical Information

6-Carboxyfluorescein diacetate succinimidyl ester
CAS Number150206-15-8
PubChem CID5048409
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3',6'-diacetyloxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate
Molecular FormulaC29H19NO11
Molecular Weight557.5
XLogP2.6
Topological Polar Surface Area152
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1100
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)C(=O)ON6C(=O)CCC6=O)C(=O)O3
InChI
InChI=1S/C29H19NO11/c1-14(31)37-17-4-7-20-23(12-17)39-24-13-18(38-15(2)32)5-8-21(24)29(20)22-11-16(3-6-19(22)28(36)40-29)27(35)41-30-25(33)9-10-26(30)34/h3-8,11-13H,9-10H2,1-2H3
InChIKey
JGPOSNWWINVNFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Carboxyfluorescein diacetate succinimidyl ester
CAS: 150206-15-8
CID: 5048409
Formula: C29H19NO11
MW: 557.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.5
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass557.09581042
Monoisotopic Mass557.09581042
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity1100
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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