chempirical

Isopropyl unoprostone

C25H44O5CAS 120373-24-2424.62 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterKetone

Properties

Molecular formula
C25H44O5
Molar mass
424.62 g/mol
Exact mass
424.3189 Da
logP
5.12Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
16
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
120373-24-2
SMILES
CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=CCCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O
InChIKey
XXUPXHKCPIKWLR-JHUOEJJVSA-N
InChI
InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-, 1-methylethyl ester, (5Z)-
  • 5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-, 1-methylethyl ester, [1R-[1α(Z),2β,3α,5α]]-
  • UF 021
  • Rescula
  • Unoprostone isopropyl ester
  • 13,14-Dihydro-15-keto-20-ethyl-PGF2
  • 13,14-Dihydro-15-keto-20-ethyl-PG F2α isopropyl ester

Work with Isopropyl unoprostone

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

Latanoprost130209-82-457 % similar 17-Phenyl trinor pgf2alpha-ipr130209-76-651 % similar Isopropyl myristate110-27-050 % similar Isopropyl palmitate142-91-650 % similar Isopropyl hexanoate2311-46-848 % similar Methyl ricinoleate141-24-246 % similar Tafluprost209860-87-746 % similar Butyl ricinoleate151-13-345 % similar

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

Elsewhere

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