Name: Name:7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-
Brand: Angene
SKU: AG001WLG
Rating: 90 (10 reviews)

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-

CAS No.:

166247-63-8

Catalog Number:

AG001WLG

Molecular Formula:

C11H13IN4O3

Molecular Weight:

376.1504

Catalog Number:

AG001WLG

Chemical Name:

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-

CAS Number:

166247-63-8

Molecular Formula:

C11H13IN4O3

Molecular Weight:

376.1504

MDL Number:

MFCD07778650

IUPAC Name:

(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

InChI:

InChI=1S/C11H13IN4O3/c12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11/h2,4,6-8,17-18H,1,3H2,(H2,13,14,15)/t6-,7+,8+/m0/s1

InChI Key:

LIIIRHQRQZIIRT-XLPZGREQSA-N

SMILES:

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

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

376.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

376.154g/mol

Monoisotopic Mass:

376.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3