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5-CFDA

CAT: 0607-A4673-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A4673-50Size:50 mg
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CAS Number
79955-27-4
Product Name Alternative
3',6'-diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
Sequence
5-Carboxyfluorescein diacetate
Purity
0.9753
Solubility
≥49.4 mg/mL in DMSO; ≥3.27 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
O=C(C)OC1=CC(OC(C=C(OC(C)=O)C=C2)=C2C34C(C=CC(C(O)=O)=C5)=C5C(O4)=O)=C3C=C1
Molecular Formula
C25H16O9
Molecular Weight
460.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5-Carboxyfluorescein Diacetate
CAS Number79955-27-4
PubChem CID133314
IUPAC Name3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Molecular FormulaC25H16O9
Molecular Weight460.4
XLogP3.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity828
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C
InChI
InChI=1S/C25H16O9/c1-12(26)31-15-4-7-19-21(10-15)33-22-11-16(32-13(2)27)5-8-20(22)25(19)18-6-3-14(23(28)29)9-17(18)24(30)34-25/h3-11H,1-2H3,(H,28,29)
InChIKey
WPUZGNPQMIWOHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Carboxyfluorescein Diacetate
CAS: 79955-27-4
CID: 133314
Formula: C25H16O9
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass460.07943208
Monoisotopic Mass460.07943208
Topological Polar Surface Area125 Ų
Heavy Atom Count34
Formal Charge0
Complexity828
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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