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802-31-3 | Prosta-5,13,17-trien-1-oicacid, 11,15-dihydroxy-9-oxo-, (5Z,11a,13E,15S,17Z)-
CAS No: 802-31-3 Catalog No: AG005C9X MDL No:MFCD00065758
Product Description
Catalog Number:
AG005C9X
Chemical Name:
Prosta-5,13,17-trien-1-oicacid, 11,15-dihydroxy-9-oxo-, (5Z,11a,13E,15S,17Z)-
CAS Number:
802-31-3
Molecular Formula:
C20H30O5
Molecular Weight:
350.4492
MDL Number:
MFCD00065758
IUPAC Name:
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
InChI:
InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChI Key:
CBOMORHDRONZRN-QLOYDKTKSA-N
SMILES:
CC/C=C\C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
UNII:
ZED6SBL53S
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
3
Exact Mass:
350.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.455g/mol
Monoisotopic Mass:
350.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
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| Affinities, selectivities, potencies, and intrinsic activities of natural and synthetic prostanoids using endogenous receptors: focus on DP class prostanoids. | The Journal of pharmacology and experimental therapeutics 20000501 |
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