65166
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8
8
7
7
7
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6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
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3
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17
8
11
10
27
8
13
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13
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16
17
16
29
30
9
18
10
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11
21
12
22
23
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15
26
16
28
1
1
1
1
1
1
1
2
1
2
1
1
2
1
1
1
1
1
1
1
1
1
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1
1
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1
2
1
8
1
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9
18
1
1
10
2
9
11
21
1
1
11
1
10
12
22
1
1
1
5
255
1
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4.4026
6.7523
4.6783
4.6783
2.866
2
2.866
4.9889
5.9405
5.9422
4.9917
4.6844
3.732
5.2619
3.732
2.866
2
5.4266
6.0684
6.5572
6.4942
4.3795
5.2744
4.4938
4.0944
5.8819
7.3182
1.4631
2.3291
3.403
1.5578
2.6416
-0.2027
-1.8122
-0.0074
-1.5074
-3.0074
0.7478
1.0552
2.0552
2.3658
3.3174
-0.5074
-1.0074
-1.5074
-2.0074
-0.5074
0.3087
0.4485
1.1189
1.7728
2.4639
3.508
3.9074
3.1269
-1.0074
2.3884
-0.1974
-3.3174
-3.3174
8
8
8
8
8
8
8
8
6
5
6
8
8
3
3
4
4
5
5
6
6
8
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13
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14
15
13
17
16
17
3
2
12
15
16
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
292
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C073B0000000000000000000000000000001624000002C000000000000005801F800001E0010080000081CE1970607F0BF4C1600A0010661640080802D1110A001502028541081580240C8401E44080F0002C30020B000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-ol
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanol
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-ol
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-ol
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
FFHPXOJTVQDVMO-DSYKOEDSSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2012.05.21
-0.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
235.106925
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C10H13N5O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
235.24252
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)O
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
99.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
235.106925
17
3
3
0
0
0
0
0
1
3