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69-33-0 | 4-Amino-7-(b-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine
CAS No: 69-33-0 Catalog No: AG0036PT MDL No:MFCD00056012
Product Description
Catalog Number:
AG0036PT
Chemical Name:
4-Amino-7-(b-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine
CAS Number:
69-33-0
Molecular Formula:
C11H14N4O4
Molecular Weight:
266.2533
MDL Number:
MFCD00056012
IUPAC Name:
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
InChI Key:
HDZZVAMISRMYHH-KCGFPETGSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N
EC Number:
200-703-4
UNII:
M351LCX45Y
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
266.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
266.257g/mol
Monoisotopic Mass:
266.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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