Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate

Catalog Number	ACM799268443
CAS	799268-44-3
Synonyms	N-palmitoyl-serine phosphoric acid (ammonium salt)
IUPAC Name	Azanium;(2S)-2-(hexadecanoylamino)-3-phosphonooxypropanoate
Molecular Weight	440.5
Molecular Formula	C19H41N2O7P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)O)C(=O)[O-].[NH4+]
InChI	InChI=1S/C19H38NO7P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17(19(22)23)16-27-28(24,25)26;/h17H,2-16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26);1H3/t17-;/m0./s1
InChI Key	RJXHWJJUFLIQSY-LMOVPXPDSA-N
Purity	99%+
Complexity	462
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	440.26513865
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)C(=O)[O-].[NH4+]
Monoisotopic Mass	440.26513865
Physical State	Powder
Rotatable Bond Count	18
Storage Conditions	-20 °C
Topological Polar Surface Area	137 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

The IUPAC name is azanium;(2S)-2-(hexadecanoylamino)-3-phosphonooxypropanoate.

What is the molecular formula of Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

The molecular formula is C19H41N2O7P.

What is the molecular weight of Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

The molecular weight is 440.5g/mol.

How many heavy atoms are present in Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

There are 29 heavy atoms.

What is the Canonical SMILES representation of Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)O)C(=O)[O-].[NH4+]

How many rotatable bonds are present in the compound with Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

There are 18 rotatable bonds.

What is the InChIKey of the compound with Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

RJXHWJJUFLIQSY-LMOVPXPDSA-N

How many hydrogen bond acceptors are present in the compound with Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

There are 7 hydrogen bond acceptors.

What is the Exact Mass of the compound with Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

The Exact Mass is 440.26513865.

What are some synonyms for the compound with Ammonium (S)-2-palmitamido-3-(phosphonooxy)propanoate?

Some synonyms include Ammonium(S)-2-palmitamido-3-(phosphonooxy)propanoate and 799268-44-3.

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