Metabolite Alpha-dihydroartemisinin
- Name
- Alpha-dihydroartemisinin
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 284.3481
Monoisotopic: 284.162373878 - Chemical Formula
- C15H24O5
- InChI Key
- BJDCWCLMFKKGEE-KXTPALSWSA-N
- InChI
- InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14?,15-/m1/s1
- IUPAC Name
- (4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-ol
- SMILES
- C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4
- Reactions
- Artemether Alpha-dihydroartemisinin
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.0831531 predictedDarkChem Lite v0.1.0 [M-H]- 169.8745 predictedDeepCCS 1.0 (2019) [M+H]+ 168.2929531 predictedDarkChem Lite v0.1.0 [M+H]+ 172.27007 predictedDeepCCS 1.0 (2019) [M+Na]+ 166.2836531 predictedDarkChem Lite v0.1.0 [M+Na]+ 178.1826 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060593
- ChemSpider
- 401872
- Predicted Properties
Property Value Source Water Solubility 3.16 mg/mL ALOGPS logP 2.25 ALOGPS logP 2.84 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 12.11 Chemaxon pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 57.15 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 69.91 m3·mol-1 Chemaxon Polarizability 30.08 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon