Metabolite M-II-G
- Name
- M-II-G
- Description
- Not Available
- Structure
Structure for M-II-G
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 382.32
Monoisotopic: 382.093819674 - Chemical Formula
- C17H17FNO8
- InChI Key
- VYFCVELQUABSDP-CLDVFSPQSA-N
- InChI
- InChI=1S/C17H17FNO8/c18-9-4-2-1-3-8(9)10-5-7(6-19-10)16(25)27-14(15(23)24)12(21)11(20)13(22)17(27)26/h1-6,11-14,17,19-22,26H,(H,23,24)/t11-,12-,13+,14-,17?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-1-[5-(2-fluorophenyl)-1H-pyrrole-3-carbonyl]-3,4,5,6-tetrahydroxy-1lambda3-oxane-2-carboxylic acid
- SMILES
- O[C@@H]1[C@@H](O)C(O)[O]([C@@H]([C@H]1O)C(O)=O)C(=O)C1=CNC(=C1)C1=CC=CC=C1F
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.17 mg/mL ALOGPS logP 0.24 ALOGPS logS -2.1 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 164.67 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 98.31 m3·mol-1 Chemaxon Polarizability 35.43 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon