chempirical

Latanoprost

C26H40O5CAS 130209-82-4432.60 g/mol

Open in Covalent MOL file
OOHOHOOH
AlcoholAlkeneEster

Properties

Molecular formula
C26H40O5
Molar mass
432.60 g/mol
Exact mass
432.2876 Da
logP
4.19Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
13
Stereocentres
R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
130209-82-4
SMILES
CC(C)OC(=O)CCC/C=CC[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChIKey
GGXICVAJURFBLW-CEYXHVGTSA-N
InChI
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-
  • 5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-, 1-methylethyl ester, [1R-[1α(Z),2β(R*),3α,5α]]-
  • PhXA 41
  • XA 41
  • Xalatan
  • GAAP Ofteno
  • (15R)-Latanoprost
  • Prolatan
  • (+)-Latanoprost

Work with Latanoprost

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

17-Phenyl trinor pgf2alpha-ipr130209-76-671 % similar Latanoprost acid41639-83-270 % similar Latanoprostene bunod860005-21-665 % similar Isopropyl unoprostone120373-24-257 % similar Tafluprost209860-87-755 % similar Travoprost157283-68-648 % similar (15R)-Bimatoprost1163135-92-947 % similar Bimatoprost155206-00-144 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook