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5.135
2.5369
2.5369
4.269
6.8671
4.269
3.46
3.769
3.403
3.403
4.269
5.135
4.269
6.001
5.078
4.769
5.3568
6.3513
4.95
6.9391
5.5378
6.5323
3.403
2.866
4.8059
4.8059
5.672
5.6025
6.3996
2.5369
2
4.8059
5.6677
7.404
6.6035
4.3334
7.5557
5.2856
6.8968
-1.3802
-2.8802
-0.8802
-3.8802
-2.3802
0.1198
0.7076
1.6586
-2.3802
-1.3802
-2.8802
-2.3802
-0.8802
-2.8802
0.7076
1.6586
2.4676
2.3631
3.3812
3.1721
4.1902
4.0857
-3.0002
-1.6902
-3.1902
-0.5702
-2.0702
-3.3552
-3.3552
-3.5002
-1.1902
-4.1902
0.516
-2.6902
1.7967
3.446
3.1073
4.7566
4.5873
8
8
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8
3
3
3
3
3
8
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14
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
368
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
7
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E073380000000000000000000000000000016000000034400000000000000001C000001E00080800000C1CE19E063C8092080600A2033467440082040431920018D8203874980B70A2C091119E6000678000DBC807F0F0860E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)tetrahydropyran-3,4,5-triol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(hydroxymethyl)-6-(4-phenyl-1-triazolyl)oxane-3,4,5-triol
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(hydroxymethyl)-6-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4,5-triol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-methylol-6-(4-phenyltriazol-1-yl)tetrahydropyran-3,4,5-triol
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SLCZDPXCZLKLKY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
-0.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.116821
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H17N3O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.30188
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C2=CN(N=N2)C3C(C(C(C(O3)CO)O)O)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C2=CN(N=N2)C3C(C(C(C(O3)CO)O)O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
121
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.116821
22
5
0
5
0
0
0
0
1
1