289665-57-2
1,4-ANHYDRO-3,5-DIDEOXY-3-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-XYLO-HEXITOL
Name1,4-ANHYDRO-3,5-DIDEOXY-3-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-XYLO-HEXITOL
1Identification
【Name】
1,4-ANHYDRO-3,5-DIDEOXY-3-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-XYLO-HEXITOL
【CAS】
【MDL】
MFCD11617371
【English Synonyms】
【Formula】
C10 H14 N2 O5
【MolWeight】
242.23
【Inchi】
InChI=1S/C10H14N2O5/c13-4-2-7-9(6(14)5-17-7)12-3-1-8(15)11-10(12)16/h1,3,6-7,9,13-14H,2,4-5H2,(H,11,15,16)/t6-,7+,9+/m0/s1
【InChIKey】
InChIKey=RLKQJFHYLYXAEI-LKEWCRSYSA-N
【SMILES】
c1cn(c(=O)[nH]c1=O)[C@@H]2[C@H](CO[C@@H]2CCO)O
【MOL File】
1,4-ANHYDRO-3,5-DIDE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-ANHYDRO-3,5-DIDEOXY-3-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-D-XYLO-HEXITOL.cml