Name: Name:β-D-Ribofuranuronamide, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-N-ethyl-
Brand: Angene
SKU: AG001FQZ
Rating: 90 (10 reviews)

β-D-Ribofuranuronamide, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-N-ethyl-

CAS No.:

141018-29-3

Catalog Number:

AG001FQZ

Molecular Formula:

C12H15IN6O4

Molecular Weight:

434.1898

Catalog Number:

AG001FQZ

Chemical Name:

β-D-Ribofuranuronamide, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-N-ethyl-

CAS Number:

141018-29-3

Molecular Formula:

C12H15IN6O4

Molecular Weight:

434.1898

MDL Number:

MFCD04039579

IUPAC Name:

(2S,3R,5R)-5-(6-amino-2-iodopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

InChI:

InChI=1S/C12H15IN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6?,7+,11-/m1/s1

InChI Key:

YEBHQRSEUJCFMN-MYLVMTIQSA-N

SMILES:

CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(I)nc2N

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

434.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

434.194g/mol

Monoisotopic Mass:

434.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

148A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9