Structure

Mrs 2279

CAS
367909-40-8
Catalog Number
ACM367909408
Category
Other Products
Molecular Weight
469.713
Molecular Formula
C13H18ClN5O8P2.2NH3

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Specification

Synonyms
MolPort-023-276-336, MRS 2279, AKOS024456962, (1R*,2S*)-4-[2-Chloro-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hexane-1-methanol dihydrogen phosphate ester diammonium salt, 367909-40-8
IUPAC Name
azane;[(1R,2S,4S,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Canonical SMILES
CNC1=NC(=NC2=C1N=CN2C3CC(C4(C3C4)COP(=O)(O)O)OP(=O)(O)O)Cl.N.N
InChI Key
MLPKPDFUVMQAOX-KOVKCLEESA-N
Exact Mass
469.03200
H-Bond Acceptor
14
H-Bond Donor
7
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