chempirical

2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)

C9H18NO6PCAS 35556-70-8267.22 g/mol

Open in Covalent MOL file
OPOOHOHOHOH2N
AlkeneCarboxylic acidPhosphatePrimary amine

Properties

Molecular formula
C9H18NO6P
Molar mass
267.22 g/mol
Exact mass
267.0872 Da
logP
0.97Crippen estimate
Polar surface area
130.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3

Identifiers

CAS number
35556-70-8
SMILES
C=C(OP(=O)(O)O)C(=O)O.NC1CCCCC1
InChIKey
VHFCNZDHPABZJO-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N.C3H5O6P/c7-6-4-2-1-3-5-6;1-2(3(4)5)9-10(6,7)8/h6H,1-5,7H2;1H2,(H,4,5)(H2,6,7,8)

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Names and synonyms

5 names
  • 2-Propenoic acid, 2-(phosphonooxy)-, cyclohexanamine (1:3)
  • 2-Propenoic acid, 2-(phosphonooxy)-, compd. with cyclohexanamine (1:3)
  • Pyruvic acid, phosphate, cyclohexylamine salt (1:3)
  • Tricyclohexylamine phosphoenolpyruvate
  • Phosphoenolpyruvate tricyclohexylammonium salt

Work with 2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)

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

Monopotassium phosphoenolpyruvate4265-07-040 % similar Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-838 % similar Cyclohexylamine108-91-833 % similar Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-933 % similar Cyclododecanamine1502-03-033 % similar O-Phospho-dl-serine17885-08-433 % similar Phosphoserine407-41-033 % similar Cycloheptylamine5452-35-733 % similar

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

Same formula

Cyclohexylammonium phosphoenolpyruvate10526-80-4

Elsewhere

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