1,2-Dimyristoyl-sn-glycero-3-phosphate, sodium salt

Catalog Number	ACM80724318-2
CAS	80724-31-8
Structure
Synonyms	L-β,γ-Dimyristoyl-α-phosphatidic acid monosodium salt
IUPAC Name	Sodium;[(2R)-2,3-di(tetradecanoyloxy)propyl] hydrogen phosphate
Molecular Weight	614.8
Molecular Formula	C31H60NaO8P
Canonical SMILES	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCC.[Na+]
InChI	InChI=1S/C31H61O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2;/h29H,3-28H2,1-2H3,(H2,34,35,36);/q;+1/p-1/t29-;/m1./s1
InChI Key	UBSPGYHFNIKQIP-XXIQNXCHSA-M
Purity	98%+
Complexity	650
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	614.39235015
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCC.[Na+]
Monoisotopic Mass	614.39235015
Physical State	Powder
Rotatable Bond Count	32
Storage Conditions	-20 °C
Topological Polar Surface Area	122 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1,2-Dimyristoyl-sn-glycero-3-phosphate, sodium salt?

The CAS number is 80724-31-8.

How many defined atom stereocenters are there in the molecule?

There is 1 defined atom stereocenter.

What is the molecular formula of 1,2-Dimyristoyl-sn-glycero-3-phosphate, sodium salt?

The molecular formula is C31H60NaO8P.

What is the molecular weight of the compound?

The molecular weight is 614.8g/mol.

How many heavy atoms are present in the molecule?

There are 41 heavy atoms.

How many rotatable bond counts are there in the compound?

There are 32 rotatable bonds.

What is the Canonical SMILES notation for 1,2-Dimyristoyl-sn-glycero-3-phosphate, sodium salt?

CCCC....[Na+]

What is the IUPAC name for this compound?

sodium;[(2R)-2,3-di(tetradecanoyloxy)propyl] hydrogen phosphate

How many hydrogen bond acceptor counts are there in the molecule?

There are 8 hydrogen bond acceptors.

What is the InChIKey for 1,2-Dimyristoyl-sn-glycero-3-phosphate, sodium salt?

UBSPGYHFNIKQIP-XXIQNXCHSA-M

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