chempirical

Phytic acid

C6H18O24P6CAS 83-86-3660.03 g/mol

Open in Covalent MOL file
OPOHHOOOPOOHOHOPOOHOHOPOHOOHOPOHOHOOPOOHHO
Phosphate

Properties

Molecular formula
C6H18O24P6
Molar mass
660.03 g/mol
Exact mass
659.8614 Da
Melting point
below 25 °C
logP
-3.13Crippen estimate
Polar surface area
400.6 Ų
H-bond donors / acceptors
12 / 12
Rotatable bonds
12
Stereocentres
S, R, r, S, R, sin SMILES atom order

Identifiers

CAS number
83-86-3
SMILES
O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
InChIKey
IMQLKJBTEOYOSI-GPIVLXJGNA-N
InChI
InChI=1/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-

Weigh it out

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

Names and synonyms

22 names · show all
  • Myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate)
  • Inositol, hexakis(dihydrogen phosphate), myo-
  • Myo-Inositol, hexakis(dihydrogen phosphate)
  • Fytic acid
  • Myo-Inositol hexaphosphate
  • Inositol hexakis(phosphate)
  • Inositol hexaphosphate
  • Alkalovert
  • Myo-Inositol hexakis(phosphate)
  • IP6
  • meso-Inositol hexaphosphate
  • Inositol 1,2,3,4,5,6-hexakisphosphate
  • Phyliance
  • InsP6
  • Exfoderm forte
  • Exfoderm
  • WHL
  • WHL (depressant)
  • RP 3000
  • RP 3000 (rust inhibitor)
  • Dermofeel PA 3
  • IP 6J

Work with Phytic acid

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

Potassium (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl phosphate129832-03-760 % similar Sodium phytate14306-25-358 % similar Phytin3615-82-554 % similar Pyrophosphoric acid2466-09-350 % similar Phosphorylethanolamine1071-23-435 % similar Iron(III) pyrophosphate10058-44-333 % similar Copper pyrophosphate10102-90-633 % similar Disodium pyrophosphate7758-16-933 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia