CAS 538-24-9|Tridodecanoin|TRILAURIN|1,3-bis(dodecanoyloxy)propan-2-yl dodecanoate|1,2,3-Trilauroylglycerol|1,2,3-Tridodecanoylglycerol|Glycerol trilaurate|1,3-bis(dodecanoyloxy)propan-2-yl dodecano...

基本信息

化学结构

分子式

C₃₉H₇₄O₆

分子量

639.00126

精确质量

638.54854009

电荷

InChI

InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3

InChIKey

VMPHSYLJUKZBJJ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC

Isomeric Smiles

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

计算属性

JChem

LogD (pH = 7.4)

13.59

LogD (pH = 5.5)

13.59

Log P

13.59

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

false

Acid pKa

-6.57

极化表面积

78.90

极化性

84.35

摩尔折射率

186.08

LOG S

-14.29

数据来源

名称和标识

别名

TridodecanoinTRILAURIN1,2,3-Trilauroylglycerol1,2,3-TridodecanoylglycerolGlycerol trilaurateGlyceryl trilaurateGlyceryl tridodecanoateGlyceryl tridodecanoateTrilaurinTG 12:0/12:0/12:0Tridodecanoyl glyceroltridodecanoylglycerolGlyceryl tridodecanoateTridodecanoinGlycerol trilaurateGlycerin trilaurateDodecanoic acid 1,2,3-propanetriyl estertrilaurinTG(12:0/12:0/12:0)trilauroylglycerolLauric acid triglycerin ester1,2,3-tridodecanoylglycerolGlyceryl trilaurateLauric acid triglyceride1,2,3-trilauroylglycerolpropane-1,2,3-triyl trilaurate

IUPAC标准名

1,3-bis(dodecanoyloxy)propan-2-yl dodecanoate

IUPAC传统名

1,3-bis(dodecanoyloxy)propan-2-yl dodecanoate trilaurin

名称和标识

数据登录号

EC号

208-687-0

CAS号

538-24-9

PubChem SID

16209124024900235223442885