CAS 65528-85-0 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate

What is the Canonical SMILES of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate?

The Canonical SMILES is CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O

What is the Computed Properties Heavy Atom Count of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate?

The Computed Properties Heavy Atom Count is 29.

How many Hydrogen Bond Donor Count does 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate have?

It has 3 Hydrogen Bond Donor Counts.

What is the InChIKey of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate?

The InChIKey is ZQTAMPRZFOOEEP-KKFOGOCZSA-N

What is the Molecular Weight of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate?

The Molecular Weight is 434.5g/mol.

What is the Depositor-Supplied Synonym of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate that contains the term "linoleyl"?

The Depositor-Supplied Synonym is 1-linoleoyl-sn-glycerol 3-phosphate.

What is the IUPAC Name of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate?

The IUPAC Name is [(2R)-2-hydroxy-3-phosphonooxypropyl] (9Z,12Z)-octadeca-9,12-dienoate.

How many Rotatable Bond Count does 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate have?

It has 20 Rotatable Bond Counts.

What is the Monoisotopic Mass of 1-(9Z,12Z-Octadecadienoyl)-glycero-3-phosphate?

The Monoisotopic Mass is 434.24334058.

Catalog Number	ACM65528850
CAS	65528-85-0
Synonyms	Lineoyl LPA
IUPAC Name	[(2R)-2-Hydroxy-3-phosphonooxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular Weight	434.5
Molecular Formula	C21H39O7P
Canonical SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI	InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1
InChI Key	ZQTAMPRZFOOEEP-KKFOGOCZSA-N
Purity	99%+
Complexity	499
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	434.24334058
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
Monoisotopic Mass	434.24334058
Physical State	Liquid
Rotatable Bond Count	20
Storage Conditions	-20 °C
Topological Polar Surface Area	113 Å²