Metabolite Norepinephrine sulfate
- Name
- Norepinephrine sulfate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 249.241
Monoisotopic: 249.030707779 - Chemical Formula
- C8H11NO6S
- InChI Key
- CVJMZWLHUCMEKO-ZETCQYMHSA-N
- InChI
- InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1
- IUPAC Name
- {4-[(1R)-2-amino-1-hydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid
- SMILES
- NC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1
- Reactions
- Norepinephrine Norepinephrine sulfate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 163.3659348 predictedDarkChem Lite v0.1.0 [M-H]- 157.34685 predictedDeepCCS 1.0 (2019) [M+H]+ 164.4078348 predictedDarkChem Lite v0.1.0 [M+H]+ 159.70485 predictedDeepCCS 1.0 (2019) [M+Na]+ 163.5371348 predictedDarkChem Lite v0.1.0 [M+Na]+ 165.798 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0002062
- ChemSpider
- 110309
- ChEBI
- 90022
- Predicted Properties
Property Value Source Water Solubility 5.97 mg/mL ALOGPS logP -1.6 ALOGPS logP -0.97 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) -2.2 Chemaxon pKa (Strongest Basic) 9.06 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 130.08 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 54.45 m3·mol-1 Chemaxon Polarizability 22.16 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon