当前位置: 首页 » 资料 » 化学物质数据库 » NSC177987,59837-34-2, 1-[5-(1,,2-dihydroxyethyl)-3-ethylsulfanyl-4-hyd

NSC177987,59837-34-2, 1-[5-(1,,2-dihydroxyethyl)-3-ethylsulfanyl-4-hyd

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:NSC177987,59837-34-2, 1-[5-(1,,2-dihydroxyethyl)-3-ethylsulfanyl-4-hydroxyoxolan-2-yl]pyrimidine-2,,4-dione,Canonical SMILES: CCSC1C(C(OC1N2C=CC(=O)NC2=O)C(CO)O)O,InChI: InChI=1/C12H18N2O6S/c1-2-21-10-8(18)9(6(16)5-15)20-11(10)14-4-3-7(17)13-,12(14)1
[Synonyms]
NSC177987
59837-34-2

[Structure]
NSC177987,59837-34-2, 1-[5-(1,,2-dihydroxyethyl)-3-ethylsulfanyl-4-hyd

[ Properties Computed from Structure]
Molecular Weight318.34612 [g/mol]
Molecular FormulaC12H18N2O6S
XLogP-1.3
H-Bond Donor4
H-Bond Acceptor6
Rotatable Bond Count5
Tautomer Count3
Exact Mass318.088557
MonoIsotopic Mass318.088557
Topological Polar Surface Area119
Heavy Atom Count21
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count5
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[5-(1,
2-dihydroxyethyl)-3-ethylsulfanyl-4-hydroxyoxolan-2-yl]pyrimidine-2,
4-dione
Canonical SMILES: CCSC1C(C(OC1N2C=CC(=O)NC2=O)C(CO)O)O
InChI: InChI=1/C12H18N2O6S/c1-2-21-10-8(18)9(6(16)5-15)20-11(10)14-4-3-7(17)13-
12(14)19/h3-4,6,8-11,15-16,18H,2,5H2,1H3,(H,13,17,19)/f/h13H

 
本文导航:
  • (1) NSC177987,59837-34-2, 1-[5-(1,,2-dihydroxyethyl)-3-ethylsulfanyl-4-hyd
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注