Name: Name:((2S,3R,4R,5R)-4-acetoxy-3-azido-5-(6-benzamido-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate
Brand: Angene
SKU: AG01DH08
Rating: 90 (10 reviews)

((2S,3R,4R,5R)-4-acetoxy-3-azido-5-(6-benzamido-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate

CAS No.:

329773-21-9

Catalog Number:

AG01DH08

Molecular Formula:

C27H24N8O6

Molecular Weight:

556.5295

Catalog Number:

AG01DH08

Chemical Name:

((2S,3R,4R,5R)-4-acetoxy-3-azido-5-(6-benzamido-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl 4-methylbenzoate

CAS Number:

329773-21-9

Molecular Formula:

C27H24N8O6

Molecular Weight:

556.5295

MDL Number:

MFCD31803939

IUPAC Name:

[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl 4-methylbenzoate

InChI:

InChI=1S/C27H24N8O6/c1-15-8-10-18(11-9-15)27(38)39-12-19-20(33-34-28)22(40-16(2)36)26(41-19)35-14-31-21-23(29-13-30-24(21)35)32-25(37)17-6-4-3-5-7-17/h3-11,13-14,19-20,22,26H,12H2,1-2H3,(H,29,30,32,37)/t19-,20-,22-,26-/m1/s1

InChI Key:

OITVYNLIELPNNX-LMTWLMQPSA-N

SMILES:

[N-]=[N+]=N[C@@H]1[C@@H](COC(=O)c2ccc(cc2)C)O[C@H]([C@@H]1OC(=O)C)n1cnc2c1ncnc2NC(=O)c1ccccc1

Complexity:

996

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

556.182g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

556.539g/mol

Monoisotopic Mass:

556.182g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

149A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5