Azidofluorescein
Basic information
- CAS
77162-08-4- Standard SMILES
[N-]=[N+]=Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21- InChIKey
VHUXAFZEKIMUFX-UHFFFAOYSA-N- Molecular formula
- C20H11N3O5
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 373.06987046
Overview
structure in first source
Names & identifiers
- Preferred name
- Azidofluorescein
- IUPAC
- 6-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- azidofluorescein
- Molecular formula
- C20H11N3O5
- Molecular weight
- 373.32
Names & synonyms
AzidofluoresceinN3FSC77162-08-4DTXSID70227924Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 5-azido-3',6'-dihydroxy-RefChem:116097DTXCID201504156-azido-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSCHEMBL21571772SCHEMBL316481315-Azido-3',6'-dihydroxy-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one5-azidofluorescein
Database identifiers
- CAS
77162-08-4- PubChem CID
- 196490
- DTXSID
DTXSID70227924- Nikkaji
- J618.260G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- pka
- 9.31 · 9.310±0.20(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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