chempirical

2-Sulphopalmitic acid

C16H32O5SCAS 1782-10-1336.49 g/mol

Open in Covalent MOL file
OOHSOOOH
Carboxylic acidSulfonic acid

Properties

Molecular formula
C16H32O5S
Molar mass
336.49 g/mol
Exact mass
336.1970 Da
logP
4.42Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
15

Identifiers

CAS number
1782-10-1
SMILES
CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O
InChIKey
CJAJEZSCULAKCB-UHFFFAOYSA-N
InChI
InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(17)18)22(19,20)21/h15H,2-14H2,1H3,(H,17,18)(H,19,20,21)

Weigh it out

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

Names and synonyms

3 names
  • 2-Sulfohexadecanoic acid
  • Hexadecanoic acid, 2-sulfo-
  • a-Sulfopalmitic acid

Work with 2-Sulphopalmitic 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

2-Hexyldecanoic acid25354-97-657 % similar 2-Hexadecylpropanedioic acid4371-64-657 % similar 2-Hydroxyhexadecanoic acid10067-06-854 % similar 2-Hydroxytetradecanoic acid2507-55-354 % similar 2-Hydroxyoctanoic acid617-73-254 % similar 2-Hydroxyhexadecanoic acid764-67-054 % similar 2-Bromooctadecanoic acid142-94-953 % similar 2-Bromohexadecanoic acid18263-25-753 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook