1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)

Catalog Number	ACM799279688
CAS	799279-68-8
Synonyms	C18:1 LPA
IUPAC Name	Azanium;(2S)-1-[(Z)-octadec-9-enoxy]-3-phosphonooxypropan-2-olate
Molecular Weight	439.6
Molecular Formula	C21H46NO6P
Canonical SMILES	CCCCCCCCC=CCCCCCCCCOCC(COP(=O)(O)O)[O-].[NH4+]
InChI	InChI=1S/C21H42O6P.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;/h9-10,21H,2-8,11-20H2,1H3,(H2,23,24,25);1H3/q-1;/p+1/b10-9-;/t21-;/m0./s1
InChI Key	KSHWVUWZOAKCRK-QZNKMIFOSA-O
Purity	99%+
Complexity	396
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	439.30627518
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCCOC[C@@H](COP(=O)(O)O)[O-].[NH4+]
Monoisotopic Mass	439.30627518
Physical State	Powder
Rotatable Bond Count	21
Storage Conditions	-20 °C
Topological Polar Surface Area	100 Ų

Knowledge & Learning Case Study Q&A

Deciphering Phosphatidic Acid: From Cellular Membranes to Vaccine Efficacy

Phosphatidic acid (PA) is a crucial phospholipid in cellular membranes, playing a vital role in various cellular processes such as membrane biogenesis, signal transduction, and lipid metabolism. Structurally, PA consists of a glycerol backbone linked to two fatty acids at the sn-1 and sn-2 positions, and a phosphate group at the sn-3 position. Get more information on:

• Understanding Phosphatidic Acid
• Types of Phosphatidic Acid Molecules
• Quick Selection List for Phosphatidic Acid
• Action Mechanism of Phosphatidic Acid
• Application of Phosphatidic Acid in Vaccines

What is the molecular formula of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The molecular formula of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is C21H46NO6P.

What is the IUPAC name of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The IUPAC name of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is azanium;[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] hydrogen phosphate.

What is the exact mass of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The exact mass of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 439.30627518.

How many heavy atoms are present in 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

There are 29 heavy atoms present in 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt).

How many hydrogen bond acceptor counts does 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) have?

1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) has 6 hydrogen bond acceptor counts.

What are the Computed Properties Covalently-Bonded Unit Count for 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The Computed Properties Covalently-Bonded Unit Count for 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is 2.

What is the Canonical SMILES representation of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The Canonical SMILES representation of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is CCCCCCCC=CCCCCCCCCOCC(COP(=O)(O)[O-])O.[NH4+].

What are the Isomeric SMILES of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt)?

The Isomeric SMILES of 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) is CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)[O-])O.[NH4+].

How many rotatable bond counts does 1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) have?

1-(9Z-Octadecenyl)-2-hydroxy-sn-glycero-3-phosphate (ammonium salt) has 21 rotatable bond counts.

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