1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt

Catalog Number	ACM108392025
CAS	108392-02-5
Structure
Synonyms	DOPA
Molecular Weight	724
Molecular Formula	C39H73NaO8P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]
InChI	InChI=1S/C39H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44);/b19-17-,20-18-;/t37-;/m1./s1
InChI Key	KHDHADSEKGCPKW-ZBFGHDQJSA-N
Purity	98%+
Complexity	838
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	723.49407556
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na]
Monoisotopic Mass	723.49407556
Physical State	Solid
Rotatable Bond Count	38
Storage Conditions	-20 °C
Topological Polar Surface Area	119 Ų

Q&A

What is the Canonical SMILES representation of 1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt?

The Canonical SMILES representation is CCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]

What is the CAS (Chemical Abstracts Service) number for 1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt?

The CAS number is 108392-02-5

How many covalently-bonded units are present in the computed properties of 1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt?

There are 2 covalently-bonded units.

What is the molecular weight of 1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt?

The molecular weight is 724.0g/mol.

How many hydrogen bond acceptors are present in the computed properties of the compound?

There are 8 hydrogen bond acceptors.

What is the InChIKey for 1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt?

The InChIKey is KHDHADSEKGCPKW-ZBFGHDQJSA-N

What are some of the synonyms for the compound?

Some synonyms include 18:1 PA, 1,2-Dioleoyl-sn-glycero-3-phosphate sodium salt, and SCHEMBL21434196.

How many heavy atoms are present in the computed properties of the compound?

There are 49 heavy atoms.

What is the topological polar surface area of 1,2-Di[cis-9-Octadecenoyl]-SN-glycero-3-phosphate sodium salt?

The topological polar surface area is 119.

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