CAS 60-92-4|Adenosine 3',5'-cyclophosphate|cAMP|ADENOSINE-3',5'-cyclic-MONOPHOSPHORIC ACID|3',5'-Cyclic AMP|(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2λ<sup>5</sup>-fu...

基本信息

化学结构

分子式

C₁₀H₁₂N₅O₆P

分子量

329.205941

精确质量

329.05251976

电荷

0

InChI

InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

IVOMOUWHDPKRLL-KQYNXXCUSA-N

Canonic Smiles

O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N

Isomeric Smiles

c1nc(c2c(n1)n(cn2)[C@H]1[C@@H]([C@H]2[C@H](O1)COP(=O)(O2)O)O)N

计算属性

JChem

LogD (pH = 7.4)

-3.70

LogD (pH = 5.5)

-3.77

Log P

-4.03

可自由旋转的化学键

1

质子供体

3

质子受体

8

里宾斯基五规则

true

Acid pKa

1.83

极化表面积

154.84

极化性

28.44

摩尔折射率

70.29

LOG S

-1.94

数据来源

产品目录

学术数据

Cyclic_adenosine_monophosphate

数据来源

名称和标识

别名

Adenosine 3',5'-cyclophosphatecAMPADENOSINE-3',5'-cyclic-MONOPHOSPHORIC ACID3',5'-Cyclic AMPCyclic adenosine monophosphateAdenosine 3′,5′-cyclic monophosphate环化腺苷酸Adenosine 3′,5′-cyclophosphate腺苷-3′,5′-环单磷酸腺苷环磷酸酯3′,5′-Cyclic AMP3',5'-Cyclic AMPAdenosine 3',5'-phosphateCyclic adenylic acidcAMP3',5'-cyclic AMPAdenosine 3',5'-cyclic phosphateadenosine 3',5'-cyclic monophosphateCyclic AMPADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE

IUPAC标准名

(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2λ⁵-furo[3,2-d][1,3,2λ⁵]dioxaphosphinin-2-one (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-2-one

IUPAC传统名

cyclic adenosine monophosphate (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2,7-dihydroxy-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one

名称和标识

数据登录号

CAS号

EC号

医学主题词(MeSH)

KEGG ID