Name: Name:β-D-galacto-2-Heptulopyranosononitrile, 2-azido-2-deoxy-, 3,4,5,7-tetraacetate
Brand: Angene
SKU: AG001Y55
Rating: 90 (10 reviews)

β-D-galacto-2-Heptulopyranosononitrile, 2-azido-2-deoxy-, 3,4,5,7-tetraacetate

CAS No.:

168567-90-6

Catalog Number:

AG001Y55

Molecular Formula:

C15H18N4O9

Molecular Weight:

398.3248

Catalog Number:

AG001Y55

Chemical Name:

β-D-galacto-2-Heptulopyranosononitrile, 2-azido-2-deoxy-, 3,4,5,7-tetraacetate

CAS Number:

168567-90-6

Molecular Formula:

C15H18N4O9

Molecular Weight:

398.3248

MDL Number:

MFCD08703896

IUPAC Name:

[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-azido-6-cyanooxan-2-yl]methyl acetate

InChI:

InChI=1S/C15H18N4O9/c1-7(20)24-5-11-12(25-8(2)21)13(26-9(3)22)14(27-10(4)23)15(6-16,28-11)18-19-17/h11-14H,5H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1

InChI Key:

AEIYXWZYBCMANA-GZBLMMOJSA-N

SMILES:

[N-]=[N+]=N[C@]1(C#N)O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

Complexity:

754

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

398.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.328g/mol

Monoisotopic Mass:

398.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

153A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5