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10.0841
7.5494
5.0115
6.2933
9.274
10.8941
10.6705
9.4977
6.2872
6.2872
4.4749
3.6089
4.4749
0.5369
7.266
6.0115
6.6006
6.5978
7.5512
8.3612
5.341
6.8708
5.341
4.4749
3.6089
5.7309
7.0398
7.0355
8.1031
8.7088
7.916
4.7024
6.7089
7.4908
3.072
3.938
5.0119
11.4601
10.4173
7.803
6.7291
1.0739
0
0.5369
7.266
6.1371
4.3726
4.877
6.6349
5.5507
6.7235
5.327
6.9471
3.1147
1.5053
3.31
1.81
0.31
5.1665
9.713
4.8753
5.6833
4.0652
5.3726
5.959
2.81
2.31
1.81
1.31
2.81
5.4282
6.1209
3.6261
5.0902
6.4724
6.3905
5.4145
7.0949
2.31
3.12
0
0
6.4703
4.7611
10.023
10.023
5.4765
5.4765
4.5465
9.093
8
8
8
8
8
8
8
8
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6
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5
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9
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12
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23
21
25
24
25
3
4
9
20
23
24
0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
481
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
13
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E073B8020000000000000000000000000001624000002C000000000000005801F800001E0010082000081CE1970605F0BF4C1710A0410661648080802D1110A001502028541083580240C8401E44080F0002D30020F030020000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;ammonia
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate;ammonia
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;azane
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;azane
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;ammonia
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C10H14N5O7P.2H3N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);2*1H3/t4-,6-,7-,10-;;/m1../s1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
DGXWJGDBZBXMIT-IDIVVRGQSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.116183
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C10H20N7O7P
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.282262
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.N.N
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@@H]([C@H](O3)COP(=O)(O)O)O)O.N.N
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
188
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.116183
25
4
4
0
0
0
0
0
3
3