Metabolite Biocytin
- Name
- Biocytin
- Description
- Not Available
- Structure
Structure for Biocytin
- Synonyms
- Not Available
- UNII
- G6D6147J22
- CAS number
- Not Available
- Weight
- Average: 402.51
Monoisotopic: 402.193691256 - Chemical Formula
- C17H30N4O5S
- InChI Key
- IVQBQXMFECUJEA-SQWANPQRSA-N
- InChI
- InChI=1S/C17H30N4O5S/c18-11(16(23)24)6-2-1-5-9-19-26-14(22)8-4-3-7-13-15-12(10-27-13)20-17(25)21-15/h11-13,15,19H,1-10,18H2,(H,23,24)(H2,20,21,25)/t11?,12-,13-,15-/m0/s1
- IUPAC Name
- 7-[({5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)amino]-2-aminoheptanoic acid
- SMILES
- [H][C@]12CS[C@@H](CCCCC(=O)ONCCCCCC(N)C(O)=O)[C@@]1([H])NC(=O)N2
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 194.95288 predictedDeepCCS 1.0 (2019) [M+H]+ 198.51091 predictedDeepCCS 1.0 (2019) [M+Na]+ 207.32597 predictedDeepCCS 1.0 (2019) - External Links
- Wikipedia
- Biocytin
- Predicted Properties
Property Value Source Water Solubility 0.177 mg/mL ALOGPS logP -1.2 ALOGPS logP -1.7 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 2.37 Chemaxon pKa (Strongest Basic) 9.53 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 142.78 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 111.23 m3·mol-1 Chemaxon Polarizability 43.29 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon