sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate
sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate · CAS 123334-06-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate
- CAS
- 123334-06-5
- CID
- 23666343
- IUPAC 名称
- sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate
- CAS
- 123334-06-5
- CID
- 23666343
- IUPAC 名称
- sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate
分子属性
- 分子式
- C18H25N5NaO9P
- 分子量
- 509.4 g/mol
- 精确质量
- 509.12875867 Da
- 单同位素质量
- 509.12875867 Da
- XLogP
- 暂无
- 极性表面积
- 168 Ų
- 氢键供体
- 2
- 氢键受体
- 12
- 可旋转键
- 8
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 765
结构标识
- InChIKey
- MBIUSAASWSOYGU-VMZSDVDQSA-M
- SMILES
- CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])OC(=O)CCC.O.[Na+]
- InChI
- InChI=1S/C18H24N5O8P.Na.H2O/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);;1H2/q;+1;/p-1/t10-,14-,15-,18-;;/m1../s1