Methyl 4-Azido-4,6-dideoxy-α-D-mannopyranoside - CAS 20881-80-5

Catalog:	BB059940
Product Name:	Methyl 4-Azido-4,6-dideoxy-α-D-mannopyranoside
CAS:	20881-80-5
Synonyms:	Methyl 4-azido-4,6-dideoxymannopyranoside; Methyl 4-azido-4,6-dideoxy-alpha-D-mannopyranoside; (2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol; M-4-Adm; alpha-D-Mannopyranoside, methyl 4-azido-4,6-dideoxy-

Technical Data

IUPAC Name:	(2S,3S,4S,5S,6R)-5-azido-2-methoxy-6-methyloxane-3,4-diol
Description:	is a reactant in the preparation of S-adenosyl-L-methionine enzyme which can act as a deaminase or dehydrogenase depending on it's sugar substrate. Also used in the synthesis of a universal antigen to detect brucellosis
Molecular Weight:	203.2
Molecular Formula:	C7H13N3O4
Canonical SMILES:	CC1C(C(C(C(O1)OC)O)O)N=[N+]=[N-]
InChI:	InChI=1S/C7H13N3O4/c1-3-4(9-10-8)5(11)6(12)7(13-2)14-3/h3-7,11-12H,1-2H3/t3-,4-,5+,6+,7+/m1/s1
InChI Key:	PKXUFEYHGZHRPK-VEIUFWFVSA-N
References:	Lin, G. et al. J. Am. Chem. Soc., 137, 4964 (2015); Guiard, J. et al. Angew. Chem. Int. Ed., 52, 7181 (2013).

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	0
Exact Mass:	203.0906059
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.0906059
Rotatable Bond Count:	2
Topological Polar Surface Area:	73.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0