Metabolite U6 semaglutide
- Name
- U6 semaglutide
- Description
- Not Available
- Structure
Structure for U6 semaglutide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 665.694
Monoisotopic: 665.311951213 - Chemical Formula
- C27H47N5O14
- InChI Key
- GJVCOOMPLLQBHA-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H47N5O14/c28-19(26(39)40)3-1-2-8-29-23(35)17-45-15-14-44-12-10-31-24(36)18-46-16-13-43-11-9-30-21(33)5-4-20(27(41)42)32-22(34)6-7-25(37)38/h19-20H,1-18,28H2,(H,29,35)(H,30,33)(H,31,36)(H,32,34)(H,37,38)(H,39,40)(H,41,42)
- IUPAC Name
- 2-amino-6-[2-(2-{2-[2-(2-{2-[4-carboxy-4-(3-carboxypropanamido)butanamido]ethoxy}ethoxy)acetamido]ethoxy}ethoxy)acetamido]hexanoic acid
- SMILES
- NC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCC(O)=O)C(O)=O)C(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 233.84462 predictedDeepCCS 1.0 (2019) [M+H]+ 236.20262 predictedDeepCCS 1.0 (2019) [M+Na]+ 242.99039 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.379 mg/mL ALOGPS logP -2.6 ALOGPS logP -6.8 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 2.12 Chemaxon pKa (Strongest Basic) 9.53 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 291.24 Å2 Chemaxon Rotatable Bond Count 30 Chemaxon Refractivity 156.02 m3·mol-1 Chemaxon Polarizability 70.27 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon