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115044-80-9 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-
CAS No: 115044-80-9 Catalog No: AG000FSD MDL No:
Product Description
Catalog Number:
AG000FSD
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-
CAS Number:
115044-80-9
Molecular Formula:
C12H13N5O3
Molecular Weight:
275.2633
IUPAC Name:
4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
InChI:
InChI=1S/C12H13N5O3/c13-10-9-7(11(14)19)3-17(12(9)16-5-15-10)8-2-1-6(4-18)20-8/h1-3,5-6,8,18H,4H2,(H2,14,19)(H2,13,15,16)/t6-,8+/m0/s1
InChI Key:
CRSJTDZHYFSBQM-POYBYMJQSA-N
SMILES:
OC[C@@H]1C=C[C@@H](O1)n1cc(c2c1ncnc2N)C(=O)N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
275.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.268g/mol
Monoisotopic Mass:
275.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and studies on the structure activity relationships of certain pyrrolo[2,3-d]pyrimidine nucleosides and structurally related analogs as potential antineoplastic and antiviral agents. | Farmaco (Societa chimica italiana : 1989) 19910101 |
| Investigations on the anti-HIV activity of 2',3'-dideoxyadenosine analogues with modifications in either the pentose or purine moiety. Potent and selective anti-HIV activity of 2,6-diaminopurine 2',3'-dideoxyriboside. | Biochemical pharmacology 19880401 |
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