CAS 2495-96-7 | β-D-Glucopyranoside, ethyl 2-(acetylamino)-2-deoxy- | CAS Number 2495-96-7

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2495-96-7 | β-D-Glucopyranoside, ethyl 2-(acetylamino)-2-deoxy-

CAS No: 2495-96-7 Catalog No: AG002PYV MDL No:MFCD08704103

Product Description

Catalog Number:

AG002PYV

Chemical Name:

β-D-Glucopyranoside, ethyl 2-(acetylamino)-2-deoxy-

CAS Number:

2495-96-7

Molecular Formula:

C10H19NO6

Molecular Weight:

249.2610

MDL Number:

MFCD08704103

IUPAC Name:

N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

InChI:

InChI=1S/C10H19NO6/c1-3-16-10-7(11-5(2)13)9(15)8(14)6(4-12)17-10/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7-,8-,9-,10-/m1/s1

InChI Key:

KRABAWXNIPSDEF-VVULQXIFSA-N

SMILES:

CCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O

Properties

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.263g/mol

Monoisotopic Mass:

249.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7

Literature

Title	Journal
Immunochemical studies on blood groups. LIV. Classification of anti-I and anti-i sera into groups based on reactivity patterns with various antigens related to the blood group A,B,H, Le a, Le b and precursor substances.	The Journal of experimental medicine 19720601