Fluorescein isothiocyanate-phenylglyoxal
Basic information
- CAS
116843-39-1- Standard SMILES
O=CC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1- InChIKey
LDTUNFZGCNPOKL-UHFFFAOYSA-N- Molecular formula
- C29H18N2O7S
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 538.08347209
Names & identifiers
- Preferred name
- Fluorescein isothiocyanate-phenylglyoxal
- IUPAC
- 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-(4-oxaldehydoylphenyl)thiourea
- English name
- fluorescein isothiocyanate-phenylglyoxal
- Molecular formula
- C29H18N2O7S
- Molecular weight
- 538.52742
Names & synonyms
Fitc-PGFluorescein isothiocyanate-phenylglyoxal116843-39-1DTXSID30151539RefChem:140889DTXCID70740301-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-(4-oxaldehydoylphenyl)thioureaN-(3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N''-(4-(oxoacetyl)phenyl)thioureaThiourea, N-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N''-(4-(oxoacetyl)phenyl)-SCHEMBL30234120N-(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-5-yl)-N'-[4-(oxoacetyl)phenyl]thiourea
Database identifiers
- CAS
116843-39-1- PubChem CID
- 3081111
- DTXSID
DTXSID30151539
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 959
Physicochemical properties
- Comptox DTXSID
- 30151539 · DTXSID30151539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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