CCOC(=O)C(C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)O
Nombre: ethyl 2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
SMILES: CCOC(=O)C(C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)O

Molecular Processing

Molecular formula
C13H17N5O6
Molecular weight
339.31
Exact mass
339.1179
XLogP
-2.05
TPSA
165.84
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
78.3

Supplementary Information

InChIKey: BPASLSSCGMNTIG-ZXCJZDNZSA-N
Sinónimos
ethyl-adenosine-5'-carboxylateSCHEMBL7898363BPASLSSCGMNTIG-ZXCJZDNZSA-NAdenosine-5'-Carboxylic Acid, Ethyl Esterethyl 2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
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