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Home > Aldehydes > 117017-91-1
117017-91-1 | nicotinamide-adenine dinucleotide 2',3'-dialdehyde
CAS No: 117017-91-1 Catalog No: AG009V5A MDL No:
Product Description
Catalog Number:
AG009V5A
Chemical Name:
nicotinamide-adenine dinucleotide 2',3'-dialdehyde
CAS Number:
117017-91-1
IUPAC Name:
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2-[1-(3-carbamoylpyridin-1-ium-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphate
InChI:
InChI=1S/C21H25N7O14P2/c22-18-15-20(25-9-24-18)28(10-26-15)21-17(32)16(31)13(41-21)8-39-44(36,37)42-43(34,35)38-7-12(5-29)40-14(6-30)27-3-1-2-11(4-27)19(23)33/h1-6,9-10,12-14,16-17,21,31-32H,7-8H2,(H5-,22,23,24,25,33,34,35,36,37)
InChI Key:
YOGISXWKBVTORF-UHFFFAOYSA-N
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
661.093g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
661.414g/mol
Monoisotopic Mass:
661.093g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
315A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3
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