70622-74-1, 2-甲氧基-4-2-硝基乙烯基）酚-N-乙酰-B-D-氨基葡萄糖苷, CAS: 70622-74-1

70622-74-1, 2-Methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside,
CAS: 70622-74-1
C17H22N2O9 / 398.4

2-Methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside

2-甲氧基-4-2-硝基乙烯基）酚-N-乙酰-B-D-氨基葡萄糖苷

CAS Number	70622-74-1
Product Name	Mnp-glcnac
IUPAC Name	N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-2-phenoxyoxan-3-yl]acetamide
Molecular Formula	C17H22N2O9
Molecular Weight	398.4 g/mol
InChI	InChI=1S/C17H22N2O9/c1-11(21)18-17(26-2)14(22)16(23,8-9-19(24)25)13(10-20)28-15(17)27-12-6-4-3-5-7-12/h3-9,13-15,20,22-23H,10H2,1-2H3,(H,18,21)/b9-8+/t13-,14+,15-,16-,17+/m1/s1
InChI Key	YHWRKXMTISIYOF-GVVSDTBTSA-N
SMILES	CC(=O)NC1(C(C(C(OC1OC2=CC=CC=C2)CO)(C=C[N+](=O)[O-])O)O)OC
Synonyms	2-methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside, MNP-GlcNAc
Canonical SMILES	CC(=O)NC1(C(C(C(OC1OC2=CC=CC=C2)CO)(C=C[N+](=O)[O-])O)O)OC
Isomeric SMILES	CC(=O)N[C@@]1([C@H]([C@]([C@H](O[C@H]1OC2=CC=CC=C2)CO)(/C=C/[N+](=O)[O-])O)O)OC

COA:

Name: 2-Methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside

CAS: 70622-74-1 M.F.: C₁₇H₂₂N₂O₉ M.W._:398.4

*Items*	*Standards*	*Results*
Appearance	Crystal powder	Complies
Solubility	Soluble inDMSO and DMF, insoluble C₂H₅OH	Complies
Identification	IR and HPLC	Complies
Melting point	180℃ ~ 200 °C	190℃ ~200 ℃
Specific rotation ( [α]_D, c =1 inDMSO)	-8^o ~ -9^o	-8.5^o
Total impurity	Max. 2%	Complies
Heavy metal	Max. 20ppm	Complies
Residue on ignition	Max. 0.5%	0.1%
TLC	One spot	One spot
Assay by HPLC	Min. 98%	98.2%