Metabolite U7 semaglutide
- Name
- U7 semaglutide
- Description
- Not Available
- Structure
Structure for U7 semaglutide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 693.748
Monoisotopic: 693.343251342 - Chemical Formula
- C29H51N5O14
- InChI Key
- BXBRBVBQQYLBAG-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H51N5O14/c30-21(28(41)42)5-3-4-10-31-25(37)19-47-17-16-46-14-12-33-26(38)20-48-18-15-45-13-11-32-23(35)9-8-22(29(43)44)34-24(36)6-1-2-7-27(39)40/h21-22H,1-20,30H2,(H,31,37)(H,32,35)(H,33,38)(H,34,36)(H,39,40)(H,41,42)(H,43,44)
- IUPAC Name
- 2-amino-6-[2-(2-{2-[2-(2-{2-[4-carboxy-4-(5-carboxypentanamido)butanamido]ethoxy}ethoxy)acetamido]ethoxy}ethoxy)acetamido]hexanoic acid
- SMILES
- NC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCC(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]- 239.72456 predictedDeepCCS 1.0 (2019) [M+H]+ 242.12013 predictedDeepCCS 1.0 (2019) [M+Na]+ 248.08215 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.231 mg/mL ALOGPS logP -2.3 ALOGPS logP -5.9 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.13 Chemaxon pKa (Strongest Basic) 9.53 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 291.24 Å2 Chemaxon Rotatable Bond Count 32 Chemaxon Refractivity 165.22 m3·mol-1 Chemaxon Polarizability 74.51 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