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85865-98-1 | 11,15-Dioxa-2,9-diazaoctadec-17-enoicacid, 13-(hydroxymethyl)-10,16-dioxo-13-[[(1-oxo-2-propen-1-yl)oxy]methyl]-,2-(hydroxymethyl)-3-[(1-oxo-2-propen-1-yl)oxy]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]propylester
CAS No: 85865-98-1 Catalog No: AG004R4H MDL No:
Product Description
Catalog Number:
AG004R4H
Chemical Name:
11,15-Dioxa-2,9-diazaoctadec-17-enoicacid, 13-(hydroxymethyl)-10,16-dioxo-13-[[(1-oxo-2-propen-1-yl)oxy]methyl]-,2-(hydroxymethyl)-3-[(1-oxo-2-propen-1-yl)oxy]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]propylester
CAS Number:
85865-98-1
Molecular Formula:
C30H44N2O14
Molecular Weight:
656.6754
IUPAC Name:
[2-(hydroxymethyl)-2-[6-[[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
InChI:
InChI=1S/C30H44N2O14/c1-5-23(35)41-17-29(15-33,18-42-24(36)6-2)21-45-27(39)31-13-11-9-10-12-14-32-28(40)46-22-30(16-34,19-43-25(37)7-3)20-44-26(38)8-4/h5-8,33-34H,1-4,9-22H2,(H,31,39)(H,32,40)
InChI Key:
NMUQCOLGJNFPOE-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO)CO
EC Number:
288-699-0
Properties
Complexity:
928
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
656.279g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
656.682g/mol
Monoisotopic Mass:
656.279g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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