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1,2-Dioctanoyl-sn-glycero-3-phosphate , CAS No.102731-57-7

COA

Cas Number: 102731-57-7
Molecular Weight: 424.5
PubChem CID: 128167

In stock

Item Number

D668054

Grouped product items
SKU	Size	Availability	Price	Qty
D668054-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
D668054-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	Dioctanoylphosphatidic acid \| 1,2-dioctanoyl-sn-glycero-3-phosphate \| PA(8:0/8:0) \| 1,2-Dioctanoyl-sn-glycero-3-phosphatidic acid \| [(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate \| 637NLP8R7J \| CHEBI:79075 \| Dic8PA \| PA(16:0) \| Dioctanoyl Phosphatidi

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Glycerophospholipids
    - Subclass Glycerophosphates
      - Level5 Diacylglycerophosphates
        Level6 1,2-diacylglycerol-3-phosphates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Glycerophospholipids
Subclass	Glycerophosphates
Intermediate Tree Nodes	Diacylglycerophosphates
Direct Parent	1,2-diacylglycerol-3-phosphates
Alternative Parents	Monoalkyl phosphates Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	1,2-diacylglycerol-3-phosphate - Fatty acid ester - Monoalkyl phosphate - Dicarboxylic acid or derivatives - Fatty acyl - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2-diacylglycerol-3-phosphates. These are glycerol-3-phosphates in which the glycerol moiety is bonded to two aliphatic chains through ester linkages.
External Descriptors	Diacylglycerophosphates
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

LPAR3 Tchem Lysophosphatidic acid receptor 3 (2 Activities)

Discover Target: LPAR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LPAR1 Tchem Lysophosphatidic acid receptor Edg-2 (779 Activities)

Discover Target: LPAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPAR2 Tchem Lysophosphatidic acid receptor Edg-4 (418 Activities)

Discover Target: LPAR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LPAR3 Tchem Lysophosphatidic acid receptor Edg-7 (471 Activities)

Discover Target: LPAR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate
INCHI	InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
InChIKey	XYSBQYUENLDGMI-QGZVFWFLSA-N
Smiles	CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC
Isomeric SMILES	CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
Molecular Weight	424.5
Reaxy-Rn	8518440
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8518440&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	424.500 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	20
Exact Mass	424.223 Da
Monoisotopic Mass	424.223 Da
Topological Polar Surface Area	119.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	463.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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