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70622-74-1

70622-74-1 | 2-methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside

CAS No: 70622-74-1 Catalog No: AG00FH6V MDL No:MFCD23135555

Product Description

Catalog Number:
AG00FH6V
Chemical Name:
2-methoxy-4-(2'-nitrovinyl)phenyl-2-acetamido-2-deoxy-beta-glucopyranoside
CAS Number:
70622-74-1
MDL Number:
MFCD23135555
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-methoxy-4-[(E)-2-nitroethenyl]phenoxy]oxan-3-yl]acetamide
InChI:
InChI=1S/C17H22N2O9/c1-9(21)18-14-16(23)15(22)13(8-20)28-17(14)27-11-4-3-10(5-6-19(24)25)7-12(11)26-2/h3-7,13-17,20,22-23H,8H2,1-2H3,(H,18,21)/b6-5+/t13-,14-,15-,16-,17-/m1/s1
InChI Key:
RMUOVPDSZVGLCO-OIUFJDPKSA-N

Properties

Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
1  
Exact Mass:
398.133g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
398.368g/mol
Monoisotopic Mass:
398.133g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

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