5280915
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255
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6.3301
7.1962
12.3923
15.8564
14.1244
5.4641
4.5981
6.3301
3.732
7.1962
2.866
8.0622
2
14.1244
14.1244
13.2583
14.9904
8.9282
13.2583
9.7942
14.9904
12.3923
10.6603
12.3923
11.5263
5.0656
5.8626
4.9966
4.1996
6.8671
3.3335
4.1306
6.6592
3.2646
2.4675
8.0622
1.69
1.4631
2.31
5.7932
14.7349
14.3364
13.5138
13.9123
13.2583
6.6592
15.601
15.2024
8.9282
13.7953
9.7942
12.3923
11.8554
10.6603
12.9292
11.5263
15.8564
3.905
1.405
-0.595
-3.595
-3.595
2.405
2.905
2.905
2.405
2.405
2.905
2.905
2.405
-0.595
-1.595
-0.095
-2.095
2.405
0.905
2.905
-3.095
1.405
2.405
2.405
2.905
1.93
1.93
3.38
3.38
3.215
1.93
1.93
2.095
3.38
3.38
3.525
2.9419
2.095
1.8681
4.215
-0.7027
-0.0124
-1.4873
-2.1776
-0.715
1.095
-2.2027
-1.5124
1.785
1.215
3.525
-1.215
1.095
1.785
2.715
3.525
-4.215
6
5
6
8
10
16
1
2
3
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
451
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
14
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F0783800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002020800000200880020D2080000000020000008080100000809141200010000500004C00009900388ECA44000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyeicosa-6,8,10,12-tetraenoic acid
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-tris(oxidanyl)icosa-6,8,10,12-tetraenoic acid
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyeicosa-6,8,10,12-tetraenoic acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
UXVRTOKOJOMENI-WLPVFMORSA-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
352.224974
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H32O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
352.46508
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCC(C(C=CC=CC=CC=CC(CCCC(=O)O)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](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
352.224974
25
3
3
0
4
4
0
0
1
1