289665-64-1
1,4-ANHYDRO-2,5-DIDEOXY-2-(3,4-DIHYDRO-5-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-ARABINO-HEXITOL
Name1,4-ANHYDRO-2,5-DIDEOXY-2-(3,4-DIHYDRO-5-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-ARABINO-HEXITOL
1Identification
【Name】
1,4-ANHYDRO-2,5-DIDEOXY-2-(3,4-DIHYDRO-5-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-ARABINO-HEXITOL
【CAS】
【MDL】
MFCD11617373
【English Synonyms】
【Formula】
C11 H16 N2 O5
【MolWeight】
256.256
【Inchi】
InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12-10(6)16)7-5-18-8(2-3-14)9(7)15/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9-/m0/s1
【InChIKey】
InChIKey=RIEJGZHRRQXSSD-YIZRAAEISA-N
【SMILES】
Cc1cn(c(=O)[nH]c1=O)[C@H]2CO[C@@H]([C@H]2O)CCO
【MOL File】
1,4-ANHYDRO-2,5-DIDE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-ANHYDRO-2,5-DIDEOXY-2-(3,4-DIHYDRO-5-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-ARABINO-HEXITOL.cml