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191919-02-5 | Prost-5-en-1-oic acid, 9,11-dihydroxy-15-oxo-, (5Z,8β,9α,11α)-
CAS No: 191919-02-5 Catalog No: AG002FJM MDL No:MFCD00216067
Product Description
Catalog Number:
AG002FJM
Chemical Name:
Prost-5-en-1-oic acid, 9,11-dihydroxy-15-oxo-, (5Z,8β,9α,11α)-
CAS Number:
191919-02-5
Molecular Formula:
C20H34O5
Molecular Weight:
354.4810
MDL Number:
MFCD00216067
IUPAC Name:
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
InChI:
InChI=1S/C20H34O5/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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1
InChI Key:
VKTIONYPMSCHQI-JPRPWBOBSA-N
SMILES:
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@H]1C/C=C\CCCC(=O)O)O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
354.241g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.487g/mol
Monoisotopic Mass:
354.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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