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140440-47-7

140440-47-7 | 2-Propenamide, N-[4-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-, polymer with 2-propenamide

CAS No: 140440-47-7 Catalog No: AG001CGB MDL No:

Product Description

Catalog Number:
AG001CGB
Chemical Name:
2-Propenamide, N-[4-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-, polymer with 2-propenamide
CAS Number:
140440-47-7
Molecular Formula:
C24H34N2O13
Molecular Weight:
558.5324
IUPAC Name:
N-[4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]prop-2-enamide;prop-2-enamide
InChI:
InChI=1S/C21H29NO12.C3H5NO/c1-2-13(25)22-9-3-5-10(6-4-9)31-20-18(30)16(28)19(12(8-24)33-20)34-21-17(29)15(27)14(26)11(7-23)32-21;1-2-3(4)5/h2-6,11-12,14-21,23-24,26-30H,1,7-8H2,(H,22,25);2H,1H2,(H2,4,5)/t11-,12-,14+,15+,16-,17-,18-,19-,20-,21+;/m1./s1
InChI Key:
RPSSXTNDXPYTIV-ZNSUUBFISA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)NC(=O)C=C)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O.C=CC(=O)N

Properties

Complexity:
732  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
558.206g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
558.537g/mol
Monoisotopic Mass:
558.206g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
251A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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