258524-54-8
1-((3S,4R,5S)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Name1-((3S,4R,5S)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
1Identification
【Name】
1-((3S,4R,5S)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
【CAS】
【MDL】
MFCD11505858
【English Synonyms】
【Formula】
C31 H32 N2 O7
【MolWeight】
544.601
【Inchi】
InChI=1S/C31H32N2O7/c1-20-17-33(30(36)32-29(20)35)26-18-39-27(28(26)34)19-40-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-17,26-28,34H,18-19H2,1-3H3,(H,32,35,36)/t26-,27-,28+/m0/s1
【InChIKey】
InChIKey=XPNWZVNBZGUAHB-HZFUHODCSA-N
【SMILES】
Cc1cn(c(=O)[nH]c1=O)[C@H]2CO[C@H]([C@@H]2O)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC
【MOL File】
1-((3S,4R,5S)-5-((BI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-((3S,4R,5S)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE.cml