Name: Name:(2R,3R,4S,5R)-2-(4-Amino-5-Fluoro-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Brand: Angene
SKU: AG01DIVT
Rating: 90 (10 reviews)

(2R,3R,4S,5R)-2-(4-Amino-5-Fluoro-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

CAS No.:

750598-20-0

Catalog Number:

AG01DIVT

Molecular Formula:

C11H13FN4O4

Molecular Weight:

284.2437

Catalog Number:

AG01DIVT

Chemical Name:

(2R,3R,4S,5R)-2-(4-Amino-5-Fluoro-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

CAS Number:

750598-20-0

Molecular Formula:

C11H13FN4O4

Molecular Weight:

284.2437

MDL Number:

MFCD30471837

IUPAC Name:

2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

InChI:

InChI=1S/C11H13FN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)

InChI Key:

KRRZKBNCONNKPI-UHFFFAOYSA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)F

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.247g/mol

Monoisotopic Mass:

284.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2