Metabolite Maltose
- Name
- Maltose
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 342.2965
Monoisotopic: 342.116211546 - Chemical Formula
- C12H22O11
- InChI Key
- GUBGYTABKSRVRQ-DKBJLJRDSA-N
- InChI
- InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-,11+,12-/m1/s1
- IUPAC Name
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
- SMILES
- OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
- Reactions
- Icodextrin Maltose
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 183.0133044 predictedDarkChem Lite v0.1.0 [M-H]- 172.29692 predictedDeepCCS 1.0 (2019) [M+H]+ 181.1917044 predictedDarkChem Lite v0.1.0 [M+H]+ 174.44379 predictedDeepCCS 1.0 (2019) [M+Na]+ 182.2323044 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.2402 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0000163
- ChemSpider
- 9166684
- ChEBI
- 47937
- ZINC
- ZINC000012493465
- Wikipedia
- Maltose
- Predicted Properties
Property Value Source Water Solubility 586.0 mg/mL ALOGPS logP -3 ALOGPS logP -4.7 Chemaxon logS 0.23 ALOGPS pKa (Strongest Acidic) 11.25 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 189.53 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 68.34 m3·mol-1 Chemaxon Polarizability 31.43 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon