Dioctanoyl phosphatidic acid sodium salt

Catalog Number	ACM321883549
CAS	321883-54-9
Synonyms	1,2-Dioctanoyl-sn-glycerol 3-phosphate sodium salt
IUPAC Name	Sodium;[(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate
Molecular Weight	446.4
Molecular Formula	C19H36NaO8P
Canonical SMILES	CCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC.[Na+]
InChI	InChI=1S/C19H37O8P.Na/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);/q;+1/p-1/t17-;/m1./s1
InChI Key	ZNDNSOYDPUTHKQ-UNTBIKODSA-M
Purity	99%+
Complexity	475
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	446.20454938
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC.[Na+]
Monoisotopic Mass	446.20454938
Physical State	Liquid
Rotatable Bond Count	20
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for Dioctanoyl phosphatidic acid sodium salt?

The CAS numbers for Dioctanoyl phosphatidic acid sodium salt are 321883-54-9 and 178603-80-0.

What is the Canonical SMILES representation of Dioctanoyl phosphatidic acid sodium salt?

The Canonical SMILES representation of Dioctanoyl phosphatidic acid sodium salt is CCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCC.[Na+].

How many hydrogen bond acceptors does Dioctanoyl phosphatidic acid sodium salt have?

Dioctanoyl phosphatidic acid sodium salt has 8 hydrogen bond acceptors.

What is the IUPAC Name of Dioctanoyl phosphatidic acid sodium salt?

The IUPAC Name of Dioctanoyl phosphatidic acid sodium salt is sodium;[(2R)-2,3-di(octanoyloxy)propyl] hydrogen phosphate.

What is the molecular weight of Dioctanoyl phosphatidic acid sodium salt?

The molecular weight of Dioctanoyl phosphatidic acid sodium salt is 446.4 g/mol.

What is the monoisotopic mass of Dioctanoyl phosphatidic acid sodium salt?

The monoisotopic mass of Dioctanoyl phosphatidic acid sodium salt is 446.20454938.

What is the UNII for Dioctanoyl phosphatidic acid sodium salt?

The UNII for Dioctanoyl phosphatidic acid sodium salt is 903MB74CQM.

How many rotatable bonds does Dioctanoyl phosphatidic acid sodium salt have?

Dioctanoyl phosphatidic acid sodium salt has 20 rotatable bonds.

What is the Computed Properties Complexity of Dioctanoyl phosphatidic acid sodium salt?

The Computed Properties Complexity of Dioctanoyl phosphatidic acid sodium salt is 475.

What is the Depositor-Supplied Synonym for Dioctanoyl phosphatidic acid sodium salt?

One of the Depositor-Supplied Synonyms for Dioctanoyl phosphatidic acid sodium salt is L-alpha-Phosphatidic acid, dioctanoyl sodium salt.

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Dioctanoyl phosphatidic acid sodium salt (321883-54-9)

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