CAS 21461-84-7|(2S)-5-oxooxolane-2-carboxylic acid|(2S)-(+)-2-Carboxy-5-oxotetrahydrofuran|(S)-gamma-Carboxy-gamma-butyrolactone|(2S)-(+)-5-Oxotetrahydrofuran-2-carboxylic acid|(2S)-5-oxooxolane-2-c...

基本信息

化学结构

分子式

C₅H₆O₄

分子量

130.09874

精确质量

130.02660867

电荷

InChI

InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m0/s1

InChIKey

QVADRSWDTZDDGR-VKHMYHEASA-N

Canonic Smiles

O=C1CC[C@H](O1)C(=O)O

Isomeric Smiles

O1C(=O)CC[C@H]1C(=O)O

计算属性

JChem

LogD (pH = 7.4)

-3.58

LogD (pH = 5.5)

-2.32

Log P

-0.16

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

3.33

极化表面积

63.60

极化性

11.09

摩尔折射率

26.14

LOG S

-0.17

数据来源

名称和标识

IUPAC标准名

(2S)-5-oxooxolane-2-carboxylic acid

别名

(2S)-(+)-2-Carboxy-5-oxotetrahydrofuran(S)-gamma-Carboxy-gamma-butyrolactone(2S)-(+)-5-Oxotetrahydrofuran-2-carboxylic acid5-oxotetrahydrofuran-2-carboxylic acid(S)-5-氧代四氢-2-呋喃羧酸(S)-5-Oxotetrahydro-2-furancarboxylic acid(S)-γ-Carboxy-γ-butyrolactone5S-(+)-Butyrolactone Carboxylic Acid(2S)-Tetrahydro-5-oxo-2-furancarboxylic Acid(S)-5-Oxo-2-tetrahydrofurancarboxylic Acid(S)-Tetrahydro-5-oxo-2-furancarboxylic Acid(2S)-Tetrahydro-5-oxofuran-2-carboxylic Acid(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic Acid(S)-γ-羧基-γ-丁内酯(S)-5-Oxo-tetrahydrofuran-2-carboxylic acid(S)-(+)-5-氧代-2-四氢呋喃羧酸(S)-5-Oxotetrahydro-2-furancarboxylic acid(S)-(+)-5-Oxo-2-tetrahydrofurancarboxylic acid(S)-5-氧代四氢-2-呋喃羧酸(S)-alpha-hydroxyglutaric acid-gamma-lactone(2S)-5-oxooxolane-2-carboxylic acid

IUPAC传统名

(2S)-5-oxooxolane-2-carboxylic acid

名称和标识

数据登录号

CAS号

21461-84-7

MDL号

MFCD00064516

PubChem SID

16204438324858189163425816

PubChem CID

636468