chempirical

Vitamin B6

C8H10NO5P2−CAS 8059-24-3231.14 g/mol

Open in Covalent MOL file
NOPOO−O−OH
PhenolPhosphate

Properties

Molecular formula
C8H10NO5P2−
Molar mass
231.14 g/mol
Exact mass
231.0297 Da
logP
-0.25Crippen estimate
Polar surface area
105.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
8059-24-3
SMILES
CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O
InChIKey
RBCOYOYDYNXAFA-UHFFFAOYSA-L
InChI
InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Vitamin H
  • Adermine

Work with Vitamin B6

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Deoxypyridoxine148-51-649 % similar Pyridoxal phosphate54-47-748 % similar Pyridoxal 5′-phosphate monohydrate41468-25-145 % similar Pyridoxine65-23-639 % similar Pyridoxine hydrochloride58-56-037 % similar Pyritinol1098-97-136 % similar Pyridoxal hydrochloride65-22-536 % similar Pyritinol hydrochloride10049-83-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook