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115479-42-0 | 7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-methoxy-7-β-D-ribofuranosyl-
CAS No: 115479-42-0 Catalog No: AG000G1X MDL No:
Product Description
Catalog Number:
AG000G1X
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-methoxy-7-β-D-ribofuranosyl-
CAS Number:
115479-42-0
Molecular Formula:
C12H16N4O5
Molecular Weight:
296.2792
IUPAC Name:
(2R,3R,4S,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C12H16N4O5/c1-20-10-5-2-3-16(9(5)14-12(13)15-10)11-8(19)7(18)6(4-17)21-11/h2-3,6-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t6-,7-,8-,11-/m1/s1
InChI Key:
NVZVAEZSBCORRD-KCGFPETGSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1nc(N)nc2OC
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
296.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
296.283g/mol
Monoisotopic Mass:
296.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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