Name: Name:4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-iodo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-
Brand: Angene
SKU: AG000F5O
Rating: 90 (10 reviews)

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-iodo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-

CAS No.:

114748-67-3

Catalog Number:

AG000F5O

Molecular Formula:

C11H13IN4O3

Molecular Weight:

376.1504

Catalog Number:

AG000F5O

Chemical Name:

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-5-iodo-7-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-

CAS Number:

114748-67-3

Molecular Formula:

C11H13IN4O3

Molecular Weight:

376.1504

MDL Number:

MFCD28139111

IUPAC Name:

2-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-4aH-pyrrolo[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C11H13IN4O3/c12-6-3-16(7-2-1-5(4-17)19-7)9-8(6)10(18)15-11(13)14-9/h3,5,7-8,17H,1-2,4H2,(H2,13,15,18)/t5-,7+,8?/m0/s1

InChI Key:

BFKFTKBKOBGLLW-LSBSRIOGSA-N

SMILES:

Nc1nc2c(c(=O)[nH]1)c(cn2[C@H]1CC[C@H](O1)CO)I

Complexity:

516

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:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9