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3.3521
4.4775
1.9395
6.2021
4.2182
2.4861
2.8521
3.8521
3.2152
3.2213
3.2152
1.403
0.5369
1.403
3.5287
2.9395
3.5259
4.4792
5.2892
2.269
3.7988
2.269
1.403
0.5369
3.9678
2.659
2.9133
5.0311
5.6368
4.844
3.637
2.6151
1.6304
4.4188
6.7043
0
0.866
1.9399
4.7551
1.9492
3.1621
0.866
8.6397
9.1441
9.8178
1.366
0.366
1.732
0
7.3818
10.902
5.7724
7.5771
6.0771
4.5771
9.9504
9.1424
8.3324
9.6397
10.2261
7.0771
6.5771
6.0771
5.5771
7.0771
10.388
9.6953
8.2364
9.3573
10.7395
10.6576
11.362
11.0319
9.6816
6.5771
10.1813
7.3871
4.2671
4.2671
1.056
0.676
2.269
8
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
384
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
12
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
7
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E073B8020000000000000000000000000001624000002C000000000000005801F800001E0010082000083CE1970605F0BF4C1610A0410661648080802D1110A00150A028541083580240C8401F44080F1002D30020F030020000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
(2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol;phosphoric acid
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
(2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanol;phosphoric acid
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
(2R,3R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;phosphoric acid
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
(2R,3R,5S)-2-(6-aminopurin-9-yl)-4-azanyl-5-(hydroxymethyl)oxolan-3-ol;phosphoric acid
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
(2R,3R,5S)-2-adenin-9-yl-4-amino-5-methylol-tetrahydrofuran-3-ol;phosphoric acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C10H14N6O3.H3O4P/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16;1-5(2,3)4/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14);(H3,1,2,3,4)/t4-,5?,7-,10-;/m1./s1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
AFBCGIJZVDLLLB-AJMOSHJGSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
364.089634
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C10H17N6O7P
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
364.251742
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)N)O.OP(=O)(O)O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H](C([C@H](O3)CO)N)O.OP(=O)(O)O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
223
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
364.089634
24
4
3
1
0
0
0
0
2
3