structure of N-Acetyl-1-O-propargyl-alpha-D-glucosamine

N-Acetyl-1-O-propargyl-alpha-D-glucosamine

CAS No.: 1000593-95-2
M. Wt: 259.25600
M. Fa: C11H17NO6
InChI Key: LNFVQZQJEGUHLW-ILAIQSSSSA-N

Names and Identifiers of 1000593-95-2

CAS Number

1000593-95-2

IUPAC Name

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

InChI

InChI=1S/C11H17NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h1,7-11,13,15-16H,4-5H2,2H3,(H,12,14)/t7-,8-,9-,10-,11+/m1/s1

InChIKey

LNFVQZQJEGUHLW-ILAIQSSSSA-N

Canonical SMILES

CC(=O)NC1C(C(C(OC1OCC#C)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC#C)CO)O)O

Physical and chemical properties of 1000593-95-2

Exact Mass

259.10600

Molecular Formula

C11H17NO6

Molecular Weight

259.25600

PSA

108.25000

Retrosynthesis analysis of 1000593-95-2

  • Route#1

    Cas:107-19-7
    Cas:7512-17-6
    Cas:1000593-95-2

  • Route#2

    Cas:106-96-7
    Cas:1811-31-0
    Cas:1000593-95-2