Metabolite Maltotriose
- Name
- Maltotriose
- Description
- Not Available
- Structure
Structure for Maltotriose
- Synonyms
- Not Available
- UNII
- 639K0T34IK
- CAS number
- Not Available
- Weight
- Average: 504.4371
Monoisotopic: 504.169034976 - Chemical Formula
- C18H32O16
- InChI Key
- FYGDTMLNYKFZSV-DZOUCCHMSA-N
- InChI
- InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
- IUPAC Name
- (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)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[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 207.7332829 predictedDarkChem Lite v0.1.0 [M-H]- 202.75479 predictedDeepCCS 1.0 (2019) [M+H]+ 207.1825829 predictedDarkChem Lite v0.1.0 [M+H]+ 204.65019 predictedDeepCCS 1.0 (2019) [M+Na]+ 205.3394829 predictedDarkChem Lite v0.1.0 [M+Na]+ 210.73015 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0001262
- KEGG Compound
- C01835
- ChemSpider
- 388669
- ChEBI
- 140999
- ChEMBL
- CHEMBL4637211
- Wikipedia
- Maltotriose
- Predicted Properties
Property Value Source Water Solubility 554.0 mg/mL ALOGPS logP -2.7 ALOGPS logP -6.5 Chemaxon logS 0.04 ALOGPS pKa (Strongest Acidic) 11.22 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 16 Chemaxon Hydrogen Donor Count 11 Chemaxon Polar Surface Area 268.68 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 100.75 m3·mol-1 Chemaxon Polarizability 46.65 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon