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5-Carboxyfluorescein

CAT: 0926-FC19773-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FC19773-01Size:1 g
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CAS Number
76823-03-5
Synonyms
3',6'-Dihydroxy-3-oxo-spiro[isobenzofuran-1 (3H),9'-[9H]xanthene]-5-carboxylic acid;5-FAM
MDL Number
MFCD00036874
Smiles
C1=CC2=C (C=C1C (=O) O) C (=O) OC23C4=C (C=C (C=C4) O) OC5=C3C=CC (=C5) O
Molecular Formula
C21H12O7
Molecular Weight
376.32 g/mol
Controlled
No

Chemical Information

5-Fam

5-carboxyfluorescein is a monocarboxylic acid. It has a role as a fluorochrome. It is functionally related to a fluorescein (lactone form).

CAS Number76823-03-5
PubChem CID123755
IUPAC Name3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Molecular FormulaC21H12O7
Molecular Weight376.3
XLogP2.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity637
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKey
NJYVEMPWNAYQQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fam
CAS: 76823-03-5
CID: 123755
Formula: C21H12O7
MW: 376.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.3
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass376.05830272
Monoisotopic Mass376.05830272
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity637
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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