Metabolite galactose-1-phosphate
- Name
- galactose-1-phosphate
- Description
- Not Available
- Structure
Structure for galactose-1-phosphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 246.108
Monoisotopic: 246.014068932 - Chemical Formula
- C5H11O9P
- InChI Key
- VPFDELVVUOEHIT-PSHXCJJASA-N
- InChI
- InChI=1S/C5H11O9P/c6-1-2(7)4(9)13-5(3(1)8)14-15(10,11)12/h1-9H,(H2,10,11,12)/t1-,2+,3+,4-,5+/m0/s1
- IUPAC Name
- {[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}phosphonic acid
- SMILES
- O[C@H]1O[C@H](OP(O)(O)=O)[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]- 137.32225 predictedDeepCCS 1.0 (2019) [M+H]+ 139.71782 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.50063 predictedDeepCCS 1.0 (2019) - External Links
- Wikipedia
- Galactose_1-phosphate
- Predicted Properties
Property Value Source Water Solubility 33.5 mg/mL ALOGPS logP -1.7 ALOGPS logP -2.8 Chemaxon logS -0.87 ALOGPS pKa (Strongest Acidic) 1.15 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 156.91 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 41.86 m3·mol-1 Chemaxon Polarizability 18.68 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon