AC1Q6YC6

2-[3,5-bis(2-methylsulfonyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl methanesulfonate

Also Known As: KST-1A9488|NCI60_004030|1,3,5-tris -1,3,5-triazinane-2,4,6-trione|1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate(ester)|s-Triazine-2,4-6(1H,3H,5H)trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate (ester)|(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri(ethane-2,1-diyl) trimethanesulfonate|s-Triazine-2,3H,5H)trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate (ester)|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate (ester)|2-(3,5-Bis(2-[(methylsulfonyl)oxy]ethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl)ethyl methanesulfonate #|2-[3,5-bis(2-methylsulfonyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl methanesulfonate

Molecular Formula	C12H21N3O12S3
Molecular Weight	495.02875 g/mol
LogP	-2.4
Topological Polar Surface Area	216.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	12
Exact Mass	495.02875
Monoisotopic Mass	495.02875
Heavy Atoms	30
Complexity	820.0

Chemical Identifiers

CAS Number	7149-06-6
SMILES	CS(=O)(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOS(=O)(=O)C)CCOS(=O)(=O)C
InChIKey	MVHYWAHKVCIALK-UHFFFAOYSA-N