[email protected]
CAS 115404-77-8 1′,3′-bis[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol (sodiuM salt) molecular structure lightbox
CAS RN: 115404-77-8

1′,3′-bis[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol (sodiuM salt)

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100mg In stock Shanghai Inquiry
Batchno.20251001 25mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS115404-77-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

115404-77-8 / sodium [(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

CL(1'-[18:1(9Z)/18:1(9Z)],3'-[18:1(9Z)/18:1(9Z)]) | 1',3'-Bis-[1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol | 1',3'-Bis-(1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho)-sn-glycerol

Standard CAS: 115404-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115404-77-8
Multi CAS
Yes
Molecular Formula
C81H150NaO17P2+
Molecular Weight
1481.000000
Exact Mass
1480.024597
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O.[Na+]
InChI
InChI=1S/C81H150O17P2.Na/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90);/q;+1/b37-33-,38-34-,39-35-,40-36-;/t76-,77-;/m1./s1
InChIKey
UDHOLSPSWYLHKU-QWBTUTIASA-N
Synonyms
CL(1'-[18:1(9Z)/18:1(9Z)],3'-[18:1(9Z)/18:1(9Z)]) 1',3'-Bis-[1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol 1',3'-Bis-(1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho)-sn-glycerol CL(1'-(18:1(9Z)/18:1(9Z)),3'-(18:1(9Z)/18:1(9Z))) RefChem:937640

Computed Properties

Structural Parameters

Heavy atom count
101
Fraction Csp3
0.85
Rotatable bonds
78
H-bond acceptors
15
H-bond donors
3
Molar refractivity
408.95
TPSA
236.95

LogP / Solubility

WLOGP
20.68
MLOGP
18.35
XLogP3
20.68
Consensus LogP
19.9
Log S (ESOL)
-16.9
Class (ESOL)
Insoluble
Log S (Ali)
-26.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-35.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.93

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us