7595-44-0 (9H嘌呤,9-b-D-阿拉伯呋喃糖基-,9H-Purine, 9-b-D-arabinofuranosyl-)

CAS号:
7595-44-0
中文名称:
9H嘌呤,9-b-D-阿拉伯呋喃糖基-
英文名称:
9H-Purine, 9-b-D-arabinofuranosyl-
分子式:
C10H12N4O4
分子量:
252.22668170929

9H嘌呤,9-b-D-阿拉伯呋喃糖基-(7595-44-0)名称与标识符

名称

英文别名:
9H-Purine, 9-b-D-arabinofuranosyl-;2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol;9H-PURINE-6-CARBALDEHYDE;9H-purine-6-carbaldehyde thiosemicarbazone;9H-Purine-6-carboxaldehyde;AB76268;AG-E-23634;CTK0H2133;Purin-aldehyd-(6);Purinaldehyd-(6)-thiosemicarbazon;Purinarabinosid;Purine-6-carboxaldehyde(6CI,8CI);NCI60_018826;NSC 65423;Ribosylpurine;9beta-D-ribofuranosyl-9H-Purine;HMS1545I17;9H-Purine, 9-beta -D-ribofuranosyl-;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol;9-(beta -D-Ribofuranosyl)purine;L 534857-0-2;PUR;9H-Purine, 9beta -D-ribofuranosyl-;7595-44-0;DTXSID90862174;AKOS024282325;NSC65423;NSC-65423;9-.beta.-D-Ribofuranosyl-9H-purine;NSC-407734;Nebularin(E);9-(beta-D-Ribofuranosyl)purine;Nebularin (E);Ribosyl-Purine;WLN: T56 BN DN FN HNJ D- BT5OTJ CQ DQ E1Q;9-pentofuranosyl-9H-purine;9-(.beta.-D-Ribofuranosyl)purine;Nebularin E);9H-Purine, 9.beta.-D-ribofuranosyl-;purine-1-D-ribofuranoside;Ribosyl-isopurine;Isopurine, ribosyl-;FT-0632367;MRWXACSTFXYYMV-UHFFFAOYSA-N;9-beta -Ribofuranosylpurine;9-b-D-Ribofuranosyl-9H-purine, 9CI, 8CI;Purinosine;Purine-9-beta-D-ribofuranoside;NSC407734;Purine riboside;9-Purine ribonucleoside;1fkw;Purine, ribosyl-;9-beta-Ribofuranosylpurine;9-beta-D-Ribofuranosyl-9H-purine;Oprea1_519998;9H-Purine, 9-.beta.-D-ribofuranosyl-;9-.beta.-Ribofuranosylpurine;Purine ribonucleoside;WLN: T56 BN DN FN HNJ B- BT5OTJ CQ DQ E1Q;TimTec1_004065;

标识符

InChIKey:
MRWXACSTFXYYMV-UHFFFAOYSA-N
Inchi:
1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2
SMILES:
O1C(CO)C(C(C1N1C=NC2C=NC=NC1=2)O)O

9H嘌呤,9-b-D-阿拉伯呋喃糖基-(7595-44-0)物化性质

实验特性

  • LogP : -1.56220
  • PSA : 113.52

计算特性

  • 精确分子量 : 252.08596
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 同位素质量 : 252.086
  • 重原子数量 : 18
  • 复杂度 : 308
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 4
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : _0.7
  • 拓扑分子极性表面积 : 114Ų