1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)

Catalog Number	ACM799279677
CAS	799279-67-7
Synonyms	1-Octadecyl-sn-glycero-3-phosphate (ammonium salt)
IUPAC Name	Azanium;(2S)-1-octadecoxy-3-phosphonooxypropan-2-olate
Molecular Weight	441.6
Molecular Formula	C21H48NO6P
Canonical SMILES	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)[O-].[NH4+]
InChI	InChI=1S/C21H44O6P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25;/h21H,2-20H2,1H3,(H2,23,24,25);1H3/q-1;/p+1/t21-;/m0./s1
InChI Key	RRAHIAWCNQNZFB-BOXHHOBZSA-O
Purity	99%+
Complexity	361
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	441.32192525
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O)[O-].[NH4+]
Monoisotopic Mass	441.32192525
Physical State	Powder
Rotatable Bond Count	22
Storage Conditions	-20 °C
Topological Polar Surface Area	100 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The molecular formula of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is C21H48NO6P.

What is the exact mass of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The exact mass of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 441.32192525 g/mol.

How many heavy atoms are present in 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

There are 29 heavy atoms present in 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt).

What is the computed property of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) related to the number of rotatable bonds?

The computed property related to the number of rotatable bonds in 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 22.

How many defined atom stereocenters are present in 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

There is 1 defined atom stereocenter present in 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt).

What is the canonical SMILES representation of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The canonical SMILES representation of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is CCCCCCCCCCCCCCCCCOCC(COP(=O)(O)[O-])O.[NH4+].

What is the InChIKey of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The InChIKey of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is FFEGYFZPOUEMED-ZMBIFBSDSA-N.

What is the IUPAC name of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The IUPAC name of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is azanium;[(2R)-2-hydroxy-3-octadecoxypropyl] hydrogen phosphate.

What are the depositor-supplied synonyms of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The depositor-supplied synonyms of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) are C18 LPA and 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) in powder form.

What is the computed property of 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) related to the topological polar surface area?

The computed property related to the topological polar surface area in 1-O-octadecyl-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 100.

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