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100648-29-1,MFCD03411989
Catalog No.:AA0002I3
100648-29-1 | Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-methylene-, (5Z,9α,13E,15S)-
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1mg
≥98%
1 week  
$142.00   $100.00
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5mg
≥98%
1 week  
$460.00   $322.00
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10mg
≥98%
1 week  
$776.00   $543.00
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Technical Information
Catalog Number:
AA0002I3
Chemical Name:
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-methylene-, (5Z,9α,13E,15S)-
CAS Number:
100648-29-1
Molecular Formula:
C21H34O4
Molecular Weight:
350.4923
MDL Number:
MFCD03411989
IUPAC Name:
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
InChI:
InChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-18-16(2)15-20(23)19(18)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+,20-/m0/s1
InChI Key:
ROZAFJXVUNORLT-SFIVEXQWSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1C(=C)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O
Properties
Computed Properties
 
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
2  
Exact Mass:
350.246g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
350.499g/mol
Monoisotopic Mass:
350.246g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Synonyms
 
11-deoxy-11-methylene-PGD2 
11-deoxy-11-methylene Prostaglandin D2 
11-Deoxy-11-methyleneprostaglandin D2 
11-deoxy-11-methylene-Prostaglandin D2 
SR-01000946244 
J-000191 
SR-01000946244-1 
9.alpha.,15S-Dihydroxy-11-methyleneprosta-5Z,13E-dien-1-oic acid 
Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-methylene-, (5Z,9alpha,13E,15S)- 
Prosta-5,13-dien-1-oicacid,9,15-dihydroxy-11-methylene-,(5z,9a,13e,15s)- 
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid 
FA(21:3(OH2,cyclo)) 
9S,15S-dihydroxy-11-methylene-5Z,13E-prostadienoic acid 
C21H34O4 
CID5283095 
Prosta-5,13-dien-1-oicacid, 9,15-dihydroxy-11-methylene-, (5Z,9a,13E,15S)- 
100648-29-1 
LMFA03010103 
AC1NR1IH 
ROZAFJXVUNORLT-SFIVEXQWSA-N 
HMS3648M17 
1156AH 
ZINC27639347 
Literature
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