5(6)-Carboxyfluorescein
PubChem CID: 44119975
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| Compound Synonyms | 5(6)-carboxyfluorescein, 72088-94-9, 5(6)-FAM, 1171493-85-8, MFCD00151081, 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid, 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid, 3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5(6)-carboxylic acid, BPVHBBXCESDRKW-UHFFFAOYSA-N, 5(6)-Carboxyfluorescein, mixture of isomers, 5-(and-6)-FAM, 3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid (1:1), 5-(and-6)-carboxyfluorescein, SCHEMBL20484581, CHEBI:138465, 5(6)-Carboxyfluorescein - mixture, AKOS025311485, FC19772, SB66580, AS-47129, DA-49767, HY-15940, PD017795, SY077031, 5(6)-Carboxyfluorescein, Dye content 90 %, F12234, A934075, 5(6)-CARBOXYFLUORESCEIN, CARBOXYFLUORESCEIN, 5(6)-Carboxyfluorescein, BioReagent, suitable for fluorescence, >=95% (HPLC), 3 inverted exclamation marka,6 inverted exclamation marka-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9 inverted exclamation marka-[9H]xanthene]-ar-carboxylic acid, 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid - 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid (1:1) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 227.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | Occcccc6)OccC6OC=O)cc5cccc6)C=O)O))))))))))cccc6)O.Occcccc6)OccC6OC=O)cc5cccc6))C=O)O)))))))))cccc6)O |
| Heavy Atom Count | 56.0 |
| Classyfire Class | Benzopyrans |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1270.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid, 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C42H24O14 |
| Inchi Key | BPVHBBXCESDRKW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | phlobaphene |
| Esol Class | Poorly soluble |
| Functional Groups | cC(=O)O, cC(=O)OC, cO, cOc |
| Compound Name | 5(6)-Carboxyfluorescein |
| Exact Mass | 752.117 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 752.117 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 752.6 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/2C21H12O7/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, 22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h2*1-9,22-23H,(H,24,25) |
| Smiles | C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Reference:ISBN:9788172363178 - 2. Outgoing r'ship
FOUND_INto/from Cassia Fistula (Plant) Rel Props:Reference:ISBN:9788172363178 - 3. Outgoing r'ship
FOUND_INto/from Cuscuta Europaea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 4. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818 - 5. Outgoing r'ship
FOUND_INto/from Platanus Orientalis (Plant) Rel Props:Reference:ISBN:9780387706375