CAS 3738-74-7|CAS 2442-61-7|1-hydroxy-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate|(±)-DIOLEOYLGLYCEROL (18:1)|1-hydroxy-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate|1,2-Di[cis-9-octade...

General Information

Structure

Molecular Formula

C₃₉H₇₂O₅

Molecular Mass

620.98598

Exact Mass

620.5379754

Charge

InChI

InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3

InChIKey

AFSHUZFNMVJNKX-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)CO

Isomeric Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC

Calculated Properties

JChem

Acid pKa

14.577784

H Acceptors

H Donor

LogD (pH = 5.5)

13.057525

LogD (pH = 7.4)

13.057525

Log P

13.057525

Molar Refractivity

188.3361

Polarizability

74.24763

Polar Surface Area

72.83

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

(±)-DIOLEOYLGLYCEROL (18:1)1,2-Di[cis-9-octadecenoyl]-rac-glycerol1,2-Dioleoyl-rac-glycerol (c18:1, [cis]-9)(±)-1,2-Diolein(9Z)-9-Octadecenoic acid 1,1′-[1-(hydroxymethyl)-1,2-ethanediyl] esterrac-1,2-DioleoylglycerolDG(18:1(9Z)/18:1(9Z)/0:0)[rac]rac-1,2-二油酰基甘油1,2-Di(cis-9-octadecenoyl)-rac-glycerol1,2-二(顺式-9-油酰基)-rac-甘油rac-甘油-1,2-二油酸酯(±)-1,2-二油精1,2-Dioleoyl-rac-glycerolrac-Glycerol 1,2-dioleate1,2-二油酰基-rac-甘油

IUPAC name

1-hydroxy-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate

IUPAC Traditional name

1-hydroxy-3-(octadec-9-enoyloxy)propan-2-yl octadec-9-enoate

Names and Identifiers

Registration numbers

CAS Number

3738-74-72442-61-7

PubChem CID

5316909

PubChem SID

16209328424894210