chempirical

Prostacyclin

C20H32O5CAS 35121-78-9352.47 g/mol

Open in Covalent MOL file
HOOHOOHO
AlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C20H32O5
Molar mass
352.47 g/mol
Exact mass
352.2250 Da
logP
3.41Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
10
Stereocentres
S, R, R, S, Rin SMILES atom order
Double bonds
E, ZE/Z, in SMILES order

Identifiers

CAS number
35121-78-9
SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)O[C@H]2C[C@H]1O
InChIKey
KAQKFAOMNZTLHT-OZUDYXHBSA-N
InChI
InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, (5Z,9α,11α,13E,15S)-
  • 2H-Cyclopenta[b]furan, prosta-5,13-dien-1-oic acid deriv.
  • (5Z,9α,11α,13E,15S)-6,9-Epoxy-11,15-dihydroxyprosta-5,13-dien-1-oic acid
  • 6(9)-Oxy-11,15-dihydroxyprosta-5,13-dienoic acid
  • Prostaglandin X
  • PGX
  • Prostaglandin I2
  • PGI2
  • Epoprostenol
  • Vasocyclin
  • U 53217
  • PGX (prostaglandin)
  • Epopreostenol

Work with Prostacyclin

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

Epoprostenol sodium61849-14-775 % similar Prostaglandin F2551-11-165 % similar Dinoprost tromethamine38562-01-556 % similar Prostaglandin E1745-65-355 % similar Leukotriene B471160-24-246 % similar (3Ar,4R,5R,6as)-5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[B]furan-2-one40834-88-645 % similar Carboprost35700-23-343 % similar Iloprost78919-13-842 % similar

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

Same formula

Prostaglandin E2363-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook