Name: Name:7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo-7-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-
Brand: Angene
SKU: AG00DB4G
Rating: 90 (10 reviews)

7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo-7-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-

CAS No.:

480439-89-2

Catalog Number:

AG00DB4G

Molecular Formula:

C32H23ClIN3O7

Molecular Weight:

723.8984

Catalog Number:

AG00DB4G

Chemical Name:

7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo-7-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-

CAS Number:

480439-89-2

Molecular Formula:

C32H23ClIN3O7

Molecular Weight:

723.8984

MDL Number:

MFCD25541658

IUPAC Name:

[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl benzoate

InChI:

InChI=1S/C32H23ClIN3O7/c33-27-24-22(34)16-37(28(24)36-18-35-27)29-26(44-32(40)21-14-8-3-9-15-21)25(43-31(39)20-12-6-2-7-13-20)23(42-29)17-41-30(38)19-10-4-1-5-11-19/h1-16,18,23,25-26,29H,17H2/t23-,25-,26-,29-/m1/s1

InChI Key:

WHVWNDLPQYBIGY-CTDWIVFPSA-N

SMILES:

O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@@H]1OC(=O)c1ccccc1)n1cc(c2c1ncnc2Cl)I

Complexity:

1010

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

723.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

723.904g/mol

Monoisotopic Mass:

723.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8