Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate

Catalog Number	ACM799268454
CAS	799268-45-4
Synonyms	N-palmitoyl-tyrosine phosphoric acid (ammonium salt)
IUPAC Name	Azanium;(2S)-2-(hexadecanoylamino)-3-(4-phosphonooxyphenyl)propanoate
Molecular Weight	516.6
Molecular Formula	C25H45N2O7P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)[O-].[NH4+]
InChI	InChI=1S/C25H42NO7P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)26-23(25(28)29)20-21-16-18-22(19-17-21)33-34(30,31)32;/h16-19,23H,2-15,20H2,1H3,(H,26,27)(H,28,29)(H2,30,31,32);1H3/t23-;/m0./s1
InChI Key	UZKHSMRJEHXEHO-BQAIUKQQSA-N
Purity	99%+
Complexity	597
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	516.29643878
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)[O-].[NH4+]
Monoisotopic Mass	516.29643878
Physical State	Powder
Rotatable Bond Count	19
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-(4-(phosphonooxy)phenyl)propanoate represented by Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

The IUPAC name of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate represented by Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate is azanium;(2S)-2-(hexadecanoylamino)-3-(4-phosphonooxyphenyl)propanoate.

What is the molecular formula of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

The molecular formula of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate is C25H45N2O7P.

What is the molecular weight of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

The molecular weight of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate is 516.6g/mol.

What is the exact mass of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

The exact mass of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate is 516.29643878.

How many heavy atoms are present in Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

There are 35 heavy atoms present in Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate.

How many rotatable bond counts are there in Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

There are 19 rotatable bond counts in Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate.

How many hydrogen bond acceptor counts are in Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

There are 7 hydrogen bond acceptor counts in Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate.

What is the Canonical SMILES representation of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

The Canonical SMILES representation of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate is CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)[O-].[NH4+].

What is the InChIKey of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

The InChIKey of Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate is UZKHSMRJEHXEHO-BQAIUKQQSA-N.

What are some of the Depositor-Supplied Synonyms for Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate?

Some Depositor-Supplied Synonyms for Ammonium (S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate include 799268-45-4 and Ammonium(S)-2-palmitamido-3-(4-(phosphonooxy)phenyl)propanoate.

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