149091-92-9 (2’-腺苷酸,3’-O-(3,4-二-O-膦酰基-a-D-吡喃葡萄糖基)-,2'-Adenylic acid,3'-O-(3,4-di-O-phosphono-a-D-glucopyranosyl)-)

CAS号:
149091-92-9
中文名称:
2’-腺苷酸,3’-O-(3,4-二-O-膦酰基-a-D-吡喃葡萄糖基)-
英文名称:
2'-Adenylic acid,3'-O-(3,4-di-O-phosphono-a-D-glucopyranosyl)-
分子式:
C16H26N5O18P3
分子量:
669.321627140045

2’-腺苷酸,3’-O-(3,4-二-O-膦酰基-a-D-吡喃葡萄糖基)-(149091-92-9)名称与标识符

名称

英文别名:
2'-Adenylic acid,3'-O-(3,4-di-O-phosphono-a-D-glucopyranosyl)-;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;ADENOPHOSTIN A;AC1L3X4M;Adenophostin;adenophostin-A;C16H26N5O18P3;CHEBI:440381;CHEMBL204385;DNC014777;LS-173343;2'-Adenylic acid, 3'-O-(3,4-di-O-phosphono-alpha-D-glucopyranosyl)-;GTPL4124;Q4682254;149091-92-9;2'-ADENYLIC ACID, 3'-O-(3,4-DI-O-PHOSPHONO-.ALPHA.-D-GLUCOPYRANOSYL)-;{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid;2-[5-(6-amino-9H-9-purinyl)-2-hydroxymethyl-4-oxyphosphate-(2R,3R,4R,5R)-tetrahydro-3-furanyloxy]-6-hydroxymethyl-4,5-dioxyphosphate-(2R,3R,4S,5R,6R)-tetrahydro-2H-3-pyranol;2S7AR5SVD7;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate;BDBM50184325;UNII-2S7AR5SVD7;CHEBI:34524;DTXSID10164167;{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonate;(((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-(((2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl)oxy)-5-(hydroxymethyl)oxolan-3-yl)oxy)phosphonate;((2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-((2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxy-tetrahydropyran-2-yl)oxy-5-(hydroxymethyl)tetrahydrofuran-3-yl) dihydrogen phosphate;(((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-(((2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl)oxy)-5-(hydroxymethyl)oxolan-3-yl)oxy)phosphonic acid;DTXCID8086658;((2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-((2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl)oxy-5-(hydroxymethyl)oxolan-3-yl) dihydrogen phosphate;

标识符

InChIKey:
RENVITLQVBEFDT-MZQFDOALSA-N
Inchi:
1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
SMILES:
P(=O)(O)(O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](CO)[C@H]1O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)OP(=O)(O)O)OP(=O)(O)O)O

2’-腺苷酸,3’-O-(3,4-二-O-膦酰基-a-D-吡喃葡萄糖基)-(149091-92-9)物化性质

实验特性

  • LogP : -3.22360
  • PSA : 387.71000
  • 折射率 : 1.87
  • 沸点 : 1155.6°Cat760mmHg
  • 闪点 : 652.7°C
  • 密度 : 2.52

计算特性

  • 精确分子量 : 669.049
  • 氢键供体数量 : 10
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 11
  • 同位素质量 : 669.049
  • 重原子数量 : 42
  • 复杂度 : 1080
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 不确定原子立构中心数量 : 0
  • 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) : _7
  • 拓扑分子极性表面积 : 358Ų

2’-腺苷酸,3’-O-(3,4-二-O-膦酰基-a-D-吡喃葡萄糖基)-(149091-92-9)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单

2’-腺苷酸,3’-O-(3,4-二-O-膦酰基-a-D-吡喃葡萄糖基)-(149091-92-9)相关文献