NSC401836

[6-(4-acetamido-2-oxopyrimidin-1-yl)-5-(acetylcarbamoylamino)-3,4-diacetyloxyoxan-2-yl]methyl acetate

Also Known As: [6-(4-acetamido-2-oxopyrimidin-1-yl)-5-(acetylcarbamoylamino)-3,4-diacetyloxyoxan-2-yl]methyl acetate|[6-(4-acetamido-2-oxo-pyrimidin-1-yl)-3,4-diacetoxy-5-(acetylcarbamoylamino)tetrahydropyran-2-yl]methyl acetate|2(1H)-Pyrimidinone, 4-(acetylamino)-1-[3,4,6-tri-O-acetyl-2-[[(acetylamino)carbonyl]amino]-2-deoxyhexopyranosyl]-|4-Acetamido-1-{3,4,6-tri-O-acetyl-2-[(acetylcarbamoyl)amino]-2-deoxyhexopyranosyl}pyrimidin-2(1H)-one

Molecular Formula	C21H27N5O11
Molecular Weight	525.1707 g/mol
LogP	-0.6
Topological Polar Surface Area	208.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	525.1707
Monoisotopic Mass	525.1707
Heavy Atoms	37
Complexity	1040.0

Chemical Identifiers

CAS Number	7494-99-7
SMILES	CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)NC(=O)C
InChIKey	XIHOWNJCYHLQLE-UHFFFAOYSA-N