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English
N-(2-Chloro-1-hydroxyethyl)adenosine 5'-(dihydrogen phosphate)
group of stereoisomers with the chemical formula C₁₂H₁₇ClN₅O₈P
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
425.050326814
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₇ClN₅O₈P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=P(O)(O)OCC1OC(n2cnc3c(NC(O)CCl)ncnc32)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC(O)CCl)ncnc32)[C@H](O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H17ClN5O8P/c13-1-6(19)17-10-7-11(15-3-14-10)18(4-16-7)12-9(21)8(20)5(26-12)2-25-27(22,23)24/h3-6,8-9,12,19-21H,1-2H2,(H,14,15,17)(H2,22,23,24)/t5-,6?,8-,9-,12-/m1/s1
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InChIKey
VBPNTSHMBQKLFZ-MDSCUQPFSA-N
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CAS Registry Number
64638-63-7
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PubChem CID
71371545
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67342443
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80794475
0 references
DSSTOX compound identifier
DTXCID10745218
0 references
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