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309260-52-4 | Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (5Z,9α,13E,15S)-
CAS No: 309260-52-4 Catalog No: AG0031OK MDL No:MFCD05863733
Product Description
Catalog Number:
AG0031OK
Chemical Name:
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester, (5Z,9α,13E,15S)-
CAS Number:
309260-52-4
Molecular Formula:
C23H38O7
Molecular Weight:
426.5436
MDL Number:
MFCD05863733
IUPAC Name:
2,3-dihydroxypropyl (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoate
InChI:
InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-/m0/s1
InChI Key:
AWSHXGOINMVSGP-LJAYCTNTSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(CO)CO)O)O
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
426.262g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.55g/mol
Monoisotopic Mass:
426.262g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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