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50663-90-6 | 3H-Diimidazo[1,2-c:4',5'-e][1,2,3]triazine,3-(3,5-O-phosphinico-b-D-ribofuranosyl)- (9CI)
CAS No: 50663-90-6 Catalog No: AG006WJ9 MDL No:
Product Description
Catalog Number:
AG006WJ9
Chemical Name:
3H-Diimidazo[1,2-c:4',5'-e][1,2,3]triazine,3-(3,5-O-phosphinico-b-D-ribofuranosyl)- (9CI)
CAS Number:
50663-90-6
Molecular Formula:
C11H11N6O6P
Molecular Weight:
354.2154
IUPAC Name:
(6R,7R)-6-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
InChI:
InChI=1S/C11H11N6O6P/c18-7-8-5(3-21-24(19,20)23-8)22-11(7)16-4-13-6-9-12-1-2-17(9)15-14-10(6)16/h1-2,4-5,7-8,11,18H,3H2,(H,19,20)/t5?,7-,8?,11-/m1/s1
InChI Key:
SWFIGDRXLWNILX-CQVXPMKFSA-N
SMILES:
O[C@@H]1C2OP(=O)(O)OCC2O[C@H]1n1cnc2c1nnn1c2ncc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
354.048g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.219g/mol
Monoisotopic Mass:
354.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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