5283208
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255
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6.3301
7.1962
9.7942
14.1244
14.9904
6.3301
7.1962
5.4641
2.866
2.866
3.732
4.5981
2
3.732
8.0622
9.7942
8.9282
10.6603
2
12.3923
11.5263
13.2583
12.3923
13.2583
14.1244
6.8671
6.6592
5.0656
5.8626
2.654
2.2554
3.0781
3.4766
3.9441
4.3426
4.5981
1.788
1.3894
3.1951
8.0622
9.0581
10.2617
11.0588
8.9282
11.7817
12.1803
1.38
2
2.62
5.7932
11.5263
13.8689
13.4704
6.6592
12.9292
12.6477
13.0463
10.3312
14.6613
2.75
0.25
2.75
-2.75
-1.25
1.75
1.25
1.25
-0.25
-1.25
0.25
1.75
-1.75
1.25
1.75
1.75
1.25
1.25
-2.75
0.25
1.75
-0.25
1.25
-1.25
-1.75
2.06
0.94
0.7751
0.7751
0.3326
-0.3577
-1.8326
-1.1423
-0.3326
0.3577
2.37
-1.1674
-1.8577
1.56
2.37
2.175
0.7751
0.7751
0.63
0.3577
-0.3326
-2.75
-3.37
-2.75
3.06
2.37
-0.3577
0.3326
-0.06
1.56
-1.1423
-1.8326
3.06
-3.06
6
5
3
6
7
16
1
2
41
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
414
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
15
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000801141200010000500004C0000910038800000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyeicosa-5,9,14-trienoic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E,11R,12S,14Z)-8,11,12-tris(oxidanyl)icosa-5,9,14-trienoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyeicosa-5,9,14-trienoic acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
WPLPEZUSILBTGP-CIQDQOFUSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.240624
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H34O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.48096
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCC=CCC(C(C=CC(CC=CCCCC(=O)O)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCC/C=C\C[C@@H]([C@@H](/C=C/C(C/C=C\CCCC(=O)O)O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
98
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.240624
25
3
2
1
3
3
0
0
1
1