16755631
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6.4021
4.5411
2.6443
5.8144
2
3.732
6.9899
7.2112
5.5931
3.732
2.866
3.232
4.232
3.732
2.923
4.8198
4.5981
2.866
4.5981
3.732
5.4641
3.5135
4.8444
4.2845
2.613
2.3566
4.2626
4.9907
2.0277
5.135
2.3291
5.7741
6.001
5.1541
-3.1217
-0.6571
-2.4172
-2.3126
0.9307
3.9307
-3.9307
-2.5339
-3.7094
0.9307
2.4307
-1.6082
-1.6082
-0.0693
-0.6571
-2.4172
1.4307
1.4307
2.4307
2.9307
2.9307
-2.1606
-1.5112
0.2122
-0.1202
-0.9093
-2.689
-3.0132
-2.3524
1.1207
2.7407
2.3938
3.2407
3.4676
8
8
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-2
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
518
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
8
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C0733C02000000000000000000000000000120000000200000000000000000000000001E00100820000C14E18006030003C007108842015650808000000000000000010800408110020081000E40000F07220300C0B030020000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl phosphate
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl phosphate
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
GYOZYWVXFNDGLU-XLPZGREQSA-L
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2012.02.08
-3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
320.040952
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C10H13N2O8P-2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
320.192582
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])[O-])O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
151
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
320.040952
21
3
3
0
0
0
0
0
1
3