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2-Bromo-3,4-Dihydro-3-[3,5-O-[(S)-Mercaptophosphinylidene]-beta-D-Ribofuranosyl]-6-Phenyl-9H-Imidazo[1,2-a]Purin-9-One
[CAS# 172806-21-2]

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Identification
Name 2-Bromo-3,4-Dihydro-3-[3,5-O-[(S)-Mercaptophosphinylidene]-beta-D-Ribofuranosyl]-6-Phenyl-9H-Imidazo[1,2-a]Purin-9-One
Synonyms 2-Bromo-3-[(1S,6R,8R,9R)-3,9-Dihydroxy-3-Thioxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-8-Yl]-6-Phenyl-5H-Imidazo[1,2-A]Purin-9-One; 8-Bromo-Beta-Phenyl-1,N(2)-Ethenoguanosine 3',5'-Cyclic Monophosphorothioate; 8-Bromo-Pet-Cyclic Gmps
Molecular Structure CAS#: 172806-21-2, 2-Bromo-3,4-Dihydro-3-[3,5-O-[(S)-Mercaptophosphinylidene]-beta-D-Ribofuranosyl]-6-Phenyl-9H-Imidazo[1,2-a]Purin-9-One
Molecular Formula C18H15BrN5O6PS
Molecular Weight 540.28
CAS Registry Number 172806-21-2
SMILES [C@@H]16O[P](=S)(OC[C@H]1O[C@@H]([N]2C3=C(N=C2Br)C(=O)N4C(=N3)NC(=C4)C5=CC=CC=C5)[C@@H]6O)O
InChI 1S/C18H15BrN5O6PS/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32)/t10-,12-,13-,16-,31?/m1/s1
InChIKey DBYADRPTMRXVDJ-QJYCJHSLSA-N
Properties
Density 2.254g/cm3 (Cal.)
Boiling point 817.606°C at 760 mmHg (Cal.)
Flash point 448.272°C (Cal.)
Market Analysis Reports
List of Reports Available for 2-Bromo-3,4-Dihydro-3-[3,5-O-[(S)-Mercaptophosphinylidene]-beta-D-Ribofuranosyl]-6-Phenyl-9H-Imidazo[1,2-a]Purin-9-One
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