Home Carboxys Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

CAS No.:
2411-89-4
Catalog Number:
AG00IKHI
Molecular Formula:
C32H32N2O12
Molecular Weight:
636.6027
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(T)
1 week
United States
$69
- +
5g
1 week
United States
$82
- +
25g
1 week
United States
$155
- +
100g
1 week
United States
$462
- +
250g
1 week
United States
$1047
- +
Product Description
Catalog Number:
AG00IKHI
Chemical Name:
Glycine,N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-
CAS Number:
2411-89-4
Molecular Formula:
C32H32N2O12
Molecular Weight:
636.6027
MDL Number:
MFCD00005911
IUPAC Name:
2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
InChI:
InChI=1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChI Key:
IYZPEGVSBUNMBE-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1cc(cc(c1O)C)C1(OC(=O)c2c1cccc2)c1cc(C)c(c(c1)CN(CC(=O)O)CC(=O)O)O)CC(=O)O
EC Number:
219-318-8
UNII:
A4P6737I7F
NSC Number:
298195
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
636.196g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
636.61g/mol
Monoisotopic Mass:
636.196g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Literature
Title Journal
Measurement of serum calcium concentration after administration of gadoversetamide in dogs. Radiology 20041001
[Highly sensitive spectrophotometric determination of trace amounts tin in water by Sn(IV)-XO-PVA system]. Guang pu xue yu guang pu fen xi = Guang pu 20030601
Properties