Structure

Saenta

CAS
130117-76-9
Catalog Number
ACM130117769
Category
Other Products
Molecular Weight
461.50
Molecular Formula
C19H23N7O5S

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Specification

Synonyms
5'-S-(2-Aminoethyl)-N6-[(4-nitrobenzyl)-5'-thioadenosine; 5'-S-(2-Aminoethyl)-N-[(4-nitrophenyl)methyl]-5'-thio-adenosine;
IUPAC Name
(2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-[6-[(4-nitrophenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Canonical SMILES
C1=CC(=CC=C1CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CSCCN)O)O)[N+](=O)[O-]
InChI Key
OAFPVFZXWPVEBS-NVQRDWNXSA-N
Boiling Point
793ºC at 760mmHg
Flash Point
433.4ºC
Density
1.7g/cm³
Exact Mass
461.14800
H-Bond Acceptor
10
H-Bond Donor
4
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