Molecules/5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
[(R)-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-bromomethyl]phosphonic acid
Molecular Identity
5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
[(R)-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-bromomethyl]phosphonic acid
PubChem CID: 135566492
2D Structure
Properties
C11H17BrN5O12P3
Molecular Formula
584.10
Molecular Weight
g/mol
582.9270
Exact Mass
Da
-4.8
XLogP
Drug-like (Lipinski: < 5)
265
TPSA
May have limited oral absorption
7
H-Bond Donors
14
H-Bond Acceptors
932
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Br)O)OIsomeric SMILES
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Br)O)OSynonyms(3)
5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosineQ27460652GBR
Data from PubChem (NCBI)
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Molecular Structure
5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
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Drug Network
Trials and conditions connected to 5'-O-[(R)-{[(S)-[(R)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
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