Name: Name:7-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Brand: Angene
SKU: AG003A53
Rating: 90 (10 reviews)

7-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS No.:

908130-61-0

Catalog Number:

AG003A53

Molecular Formula:

C11H13IN4O3

Molecular Weight:

376.1504

Catalog Number:

AG003A53

Chemical Name:

7-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS Number:

908130-61-0

Molecular Formula:

C11H13IN4O3

Molecular Weight:

376.1504

MDL Number:

MFCD13195442

IUPAC Name:

(2S,3R,5S)-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+/m1/s1

InChI Key:

LIIIRHQRQZIIRT-CSMHCCOUSA-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