45263220
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6
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1
1
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1
1
1
1
1
1
1
1
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1
1
1
1
1
1
1
1
1
7
2
8
9
12
3
1
8
3
7
10
13
3
1
9
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11
14
3
1
10
5
6
8
15
3
1
1
5
255
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1.5005
2.269
4.001
0.5369
4.001
2.269
2.269
3.135
1.403
3.135
1.403
2.8059
3.135
1.403
3.135
1.1909
0.7924
2.269
1.732
4.001
0
4.001
2.5005
0
2.81
3.81
3.81
5.81
5.81
3.81
4.31
4.31
5.31
5.31
3.5
3.69
3.69
5.93
5.8926
5.2023
6.43
2.5
3.19
4.12
6.43
0
3
3
3
3
7
8
9
10
2
3
4
5
0
Compound
Canonicalized
5
2010.04.19
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
120
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
0
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C06238000400000000000000000000000000000000002C0000000000000000000000001E00100800000814E18006000002C00200000000000000000000000000000080080001031002008000044000071000910000F010000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
piperidine-2,3,4,5-tetrol;hydrochloride
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
piperidine-2,3,4,5-tetrol;hydrochloride
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
piperidine-2,3,4,5-tetrol;hydrochloride
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
piperidine-2,3,4,5-tetrol;hydrochloride
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
piperidine-2,3,4,5-tetrol;hydrochloride
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C5H11NO4.ClH/c7-2-1-6-5(10)4(9)3(2)8;/h2-10H,1H2;1H
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
AEPDZTJJMIHYMG-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
185.045486
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C5H12ClNO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
185.60608
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1C(C(C(C(N1)O)O)O)O.Cl
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1C(C(C(C(N1)O)O)O)O.Cl
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
93
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
185.045486
11
4
0
4
0
0
0
0
2
1