Metabolite EGT0001663
- Name
- EGT0001663
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 480.94
Monoisotopic: 480.1550956 - Chemical Formula
- C24H29ClO8
- InChI Key
- FSUXVQNTXXUWEN-PZMMHDCHSA-N
- InChI
- InChI=1S/C24H29ClO8/c25-18-8-3-14(24-23(30)22(29)21(28)19(12-26)33-24)11-17(18)20(27)13-1-4-15(5-2-13)31-9-10-32-16-6-7-16/h1-5,8,11,16,19-24,26-30H,6-7,9-10,12H2/t19-,20?,21-,22+,23-,24+/m1/s1
- IUPAC Name
- (2S,3R,4R,5S,6R)-2-(4-chloro-3-{[4-(2-cyclopropoxyethoxy)phenyl](hydroxy)methyl}phenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
- SMILES
- OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(=C1)C(O)C1=CC=C(OCCOC2CC2)C=C1
- Reactions
- Bexagliflozin EGT0001663
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.176 mg/mL ALOGPS logP 1.68 ALOGPS logP 1.1 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 12.52 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 128.84 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 119.8 m3·mol-1 Chemaxon Polarizability 50.23 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon