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CAS 105405-50-3 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE SODIUM SALT molecular structure lightbox
CAS RN: 105405-50-3

1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE SODIUM SALT

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 100mg In stock Shanghai Inquiry
Batchno.20250310 25mg In stock Shandong, Guangdong Inquiry
  • Product code: starshine_CAS105405-50-3
  • Purity/Analytical Methods: >99.0%
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105405-50-3 / sodium (2S)-2-azaniumyl-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate

1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt | 1,2-dimyristoyl-sn-glycero-3-phospho-L-serine (sodium salt) | sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate

Standard CAS: 105405-50-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105405-50-3
Multi CAS
Yes
Molecular Formula
C34H65NNaO10P
Molecular Weight
701.800000
Exact Mass
701.424379
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C34H66NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2;/h30-31H,3-29,35H2,1-2H3,(H,38,39)(H,40,41);/q;+1/p-1/t30-,31+;/m1./s1
InChIKey
QSHQBWBFNCFHLO-MFABWLECSA-M
Synonyms
1,2-Dimyristoyl-sn-glycero-3-phospho-L-serine sodium salt 1,2-dimyristoyl-sn-glycero-3-phospho-L-serine (sodium salt) sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate DMPS-Na 1,2-Dimyristoyl-sn-glycero-3-PS (sodium salt)

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.91
Rotatable bonds
34
H-bond acceptors
10
H-bond donors
1
Molar refractivity
174.19
TPSA
178.96

LogP / Solubility

WLOGP
2.71
MLOGP
2.44
XLogP3
2.71
Consensus LogP
2.62
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.55
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)
-5.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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