CAS 56973-26-3|5-hydroxy-1H-imidazole-4-carboxamide|5-hydroxy-1H-imidazole-4-carboxamide|5-Hydroxy-1H-imidazole-4-carboxamide|5-Hydroxy-3H-imidazole-4-carboxylic Acid Amide|5-Hydroxy-3H-imidazole-4-...

基本信息

化学结构

分子式

C₄H₅N₃O₂

分子量

127.1014

精确质量

127.03817642

电荷

InChI

InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)

InChIKey

UEWSIIBPZOBMBL-UHFFFAOYSA-N

Canonic Smiles

NC(=O)c1nc[nH]c1O

Isomeric Smiles

c1nc(c([nH]1)O)C(=O)N

计算属性

JChem

LogD (pH = 7.4)

-2.10

LogD (pH = 5.5)

-1.12

Log P

-0.58

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

4.92

极化表面积

92.00

极化性

10.98

摩尔折射率

28.95

LOG S

-0.79

数据来源

名称和标识

IUPAC传统名

5-hydroxy-1H-imidazole-4-carboxamide 5-hydroxy-3H-imidazole-4-carboxamide

IUPAC标准名

5-hydroxy-1H-imidazole-4-carboxamide 4-hydroxy-1H-imidazole-5-carboxamide

别名

5-Hydroxy-1H-imidazole-4-carboxamide5-Hydroxy-3H-imidazole-4-carboxylic Acid Amide5-Hydroxy-3H-imidazole-4-carboxamide4-Carbamoylimidazolium-5-olateSM 1084(5)-hydroxy-5(4)-imidazolecarboxamidemizoribine baseSM-1084-carbamoylimidazolium 5-olate5-hydroxyimidazole-4-carboxamidemizoribine aglycone

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

专利号