1-Nonanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM253678669
CAS	253678-66-9
Synonyms	09:0 LYSO PC
IUPAC Name	[(2R)-2-Hydroxy-3-nonanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	397.4
Molecular Formula	C17H36NO7P
Canonical SMILES	CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C17H36NO7P/c1-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18(2,3)4/h16,19H,5-15H2,1-4H3/t16-/m1/s1
InChI Key	VKTRCGYRHHVHRW-MRXNPFEDSA-N
Purity	99%+
Complexity	418
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	397.22293949
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	397.22293949
Physical State	Powder
Rotatable Bond Count	17
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1-Nonanoyl-sn-glycero-3-phosphocholine is C17H36NO7P.

What is the exact mass of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The exact mass of 1-Nonanoyl-sn-glycero-3-phosphocholine is 397.22293949 g/mol.

What is the IUPAC name of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The IUPAC name of 1-Nonanoyl-sn-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-nonanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the Canonical SMILES of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES of 1-Nonanoyl-sn-glycero-3-phosphocholine is CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

What is the Computed Properties Hydrogen Bond Donor Count of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The Computed Properties Hydrogen Bond Donor Count of 1-Nonanoyl-sn-glycero-3-phosphocholine is 1.

What is the Deposition-Supplied Synonym of 1-Nonanoyl-sn-glycero-3-phosphocholine with the CAS number?

The Depositor-Supplied Synonym of 1-Nonanoyl-sn-glycero-3-phosphocholine is 1-nonanoyl-sn-glycero-3-phosphocholine with the CAS number 253678-66-9.

What is the complexity computed property of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The complexity computed property of 1-Nonanoyl-sn-glycero-3-phosphocholine is 418.

What is the XLogP3 computed property of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The XLogP3 computed property of 1-Nonanoyl-sn-glycero-3-phosphocholine is 1.8.

How many heavy atoms are present in 1-Nonanoyl-sn-glycero-3-phosphocholine?

There are 26 heavy atoms present in 1-Nonanoyl-sn-glycero-3-phosphocholine.

What is the InChIKey of 1-Nonanoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1-Nonanoyl-sn-glycero-3-phosphocholine is VKTRCGYRHHVHRW-MRXNPFEDSA-N.

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