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CAS 200880-42-8 1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) Sodium Salt molecular structure lightbox
CAS RN: 200880-42-8

1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) Sodium Salt

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 25mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai, Guangdong, Chongqing, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250220 1g In stock Shanghai Inquiry
Batchno.20250505 250mg In stock Shanghai Inquiry
Batchno.20250805 5g In stock Shanghai Inquiry
  • Product code: ICTD5648
  • Purity/Analytical Methods: >98.0%(HPLC)
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200880-42-8 / sodium 2,3-dihydroxypropyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate

Standard CAS: 200880-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200880-42-8
Multi CAS
No
Molecular Formula
C42H82NaO10P
Molecular Weight
801.100000
Exact Mass
800.554330
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C42H83O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39-40,43-44H,3-38H2,1-2H3,(H,47,48);/q;+1/p-1/t39?,40-;/m1./s1
InChIKey
YNQYZBDRJZVSJE-QTOMIGAPSA-M

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
0.95
Rotatable bonds
42
H-bond acceptors
10
H-bond donors
2
Molar refractivity
212.53
TPSA
151.65

LogP / Solubility

WLOGP
7.82
MLOGP
6.96
XLogP3
7.82
Consensus LogP
7.53
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-11.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05

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
5.5

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