chempirical

Prostaglandin E2

C20H32O5CAS 363-24-6352.47 g/mol

Open in Covalent MOL file
HOOHOOHO
AlcoholAlkeneCarboxylic acidKetone

Properties

Molecular formula
C20H32O5
Molar mass
352.47 g/mol
Exact mass
352.2250 Da
Melting point
67 °C
logP
3.25Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
12
Stereocentres
S, R, R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
363-24-6
SMILES
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=CCCCC(=O)O
InChIKey
XEYBRNLFEZDVAW-ARSRFYASSA-N
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1

Weigh it out

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

Names and synonyms

34 names · show all
  • Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,11α,13E,15S)-
  • NSC 196514
  • NSC 165560
  • 5-Heptenoic acid, 7-[3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl]-
  • 5-Heptenoic acid, 7-[3α-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl]-
  • (5Z,11α,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
  • PGE2
  • U 12062
  • 11α,15α-Dihydroxy-9-oxo-5-cis,13-trans-prostadienoic acid
  • (15S)-Prostaglandin E2
  • (-)-Prostaglandin E2
  • 11α,15α-Dihydroxy-9-ketoprosta-5,13-dienoic acid
  • Dinoprostone
  • Prostin E2
  • Prepidil
  • l-Prostaglandin E2
  • l-PGE2
  • Minprostin E2
  • Prostenon
  • Prostenone
  • Cervidil
  • Prostin
  • Prostin (prostaglandin)
  • Glandin
  • Prostarmon E
  • Cerviprost
  • Propess
  • Minprositin E2
  • Enzaprost E
  • Primiprost
  • Cerviprime
  • 11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid (5Z,11α,13E,15S)
  • 5: PN: US20150065431 SEQID: 5 claimed sequence
  • 7-[3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentyl]-5-heptenoic acid

Work with Prostaglandin E2

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

Prostaglandin E1745-65-376 % similar Prostaglandin F2551-11-169 % similar Leukotriene B471160-24-260 % similar Dinoprost tromethamine38562-01-559 % similar Limaprost74397-12-951 % similar Ricinoleic acid141-22-051 % similar Polyglycerol polyricinoleate29894-35-747 % similar Carboprost35700-23-346 % similar

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

Same formula

Prostacyclin35121-78-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook