2-Amino-(6-amidobiotinyl)pyridine
Basic information
- CAS
153086-93-2- Standard SMILES
Nc1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n1- InChIKey
HTVVZQSPJYVEDP-BHDSKKPTSA-N- Molecular formula
- C15H21N5O2S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.1415961
Overview
structure given in first source; used to tag oligosaccharides
Names & identifiers
- Preferred name
- 2-Amino-(6-amidobiotinyl)pyridine
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-amino-2-pyridinyl)pentanamide
- English name
- 2-amino-(6-amidobiotinyl)pyridine
- Molecular formula
- C15H21N5O2S
- Molecular weight
- 335.43
Names & synonyms
2-Amino-(6-amidobiotinyl)pyridine153086-93-2RefChem:850265-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-aminopyridin-2-yl)pentanamideN-(6-Amino-2-pyridinyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamideSCHEMBL14619006DTXSID809346721H-Thieno(3,4-d)imidazole-4-pentanamide, N-(6-amino-2-pyridinyl)hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-5-(2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)-N-(6-imino-1,6-dihydropyridin-2-yl)pentanimidic acid5-[(3aR,6S,6aS)-2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]-N-(6-imino-1,6-dihydropyridin-2-yl)pentanimidic acid1H-Thieno[3,4-d]iMidazole-4-pentanaMide, N-(6-aMino-2-pyridinyl)hexahydro-2-oxo-, (3aS,4S,6aR)-
Database identifiers
- CAS
153086-93-2- PubChem CID
- 134010
- DTXSID
DTXSID80934672
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 738.075 · 738.075±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.804 · 10.804±0.46(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…