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1170856-93-5 | Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(2-ethoxy-2-oxoethyl)-, 1,1'-diethyl ester
CAS No: 1170856-93-5 Catalog No: AG000DO6 MDL No:
Product Description
Catalog Number:
AG000DO6
Chemical Name:
Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-4',5'-diyl)bis(methylene)]bis[N-(2-ethoxy-2-oxoethyl)-, 1,1'-diethyl ester
CAS Number:
1170856-93-5
Molecular Formula:
C38H42N2O13
Molecular Weight:
734.7457
IUPAC Name:
ethyl 2-[[5'-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate
InChI:
InChI=1S/C38H42N2O13/c1-5-48-31(43)19-39(20-32(44)49-6-2)17-24-29(41)15-13-27-35(24)52-36-25(18-40(21-33(45)50-7-3)22-34(46)51-8-4)30(42)16-14-28(36)38(27)26-12-10-9-11-23(26)37(47)53-38/h9-16,41-42H,5-8,17-22H2,1-4H3
InChI Key:
AWKMLDYACNCHOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN(Cc1c(O)ccc2c1Oc1c(CN(CC(=O)OCC)CC(=O)OCC)c(O)ccc1C12OC(=O)c2c1cccc2)CC(=O)OCC
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
734.269g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
734.755g/mol
Monoisotopic Mass:
734.269g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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