5-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylcarbamoyl]-2-(2-hydroxy-6-oxoxanthen-9-yl)benzoic acid
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Basic information
- CAS
1032732-74-3- Standard SMILES
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3ccc(O)cc23)c(C(=O)O)c1- InChIKey
UROXVNHIYQXTRA-LFERIPGTSA-N- Molecular formula
- C33H32N4O8S
- Average molar mass
- 644.7 g/mol
- Monoisotopic mass
- 644.19408517
Names & identifiers
- Preferred name
- 5-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylcarbamoyl]-2-(2-hydroxy-6-oxoxanthen-9-yl)benzoic acid
- IUPAC
- 5-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylcarbamoyl]-2-(2-hydroxy-6-oxoxanthen-9-yl)benzoic acid
- English name
- BIOTIN-4-FLUORESCEIN
- Molecular formula
- C33H32N4O8S
- Molecular weight
- 644.69
Names & synonyms
SCHEMBL22406370FITC-4-Biotin5-FITC-4-Biotin-4Biotin Impurity 30BIOTIN-4-FLUORESCEINBiotin-4-Fluorescein (Green)Biotin-4-fluorescein *CAS 1032732-74-3*(3aS,4S,6aR)-N-[2-[[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)carbonyl]amino]ethyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-[[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)carbonyl]amino]ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
Database identifiers
- CAS
1032732-74-3- PubChem CID
- 71312663
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,350
Physicochemical properties
- Boiling point
- 1038 · 1038.0±65.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- pka
- 9.33 · 9.33±0.20(Predicted)
- form
- powder
- color
- light orange to very dark orangelight yellow to very dark yellow
- ε(extinction coefficient)
- 70 at · ≥70 at 491-497nm in phosphate buffer at 0.05M
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- UROXVNHIYQXTRA-LFERIPGTSA-N
- SMILES
- OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4ccc(O)cc24)C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- WGK 3
- hs_code
- 29337900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesBiotin-4-Fluorescein is used to quantitate biotin binding sites. Biotin-4-Fluorescein is a reagent that binds to avidin more readily than conventional fluorescein biotin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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