1,2-Divaleryl-sn-glycero-3-phosphocholine

Catalog Number	ACM66414344-1
CAS	66414-34-4
Synonyms	(R)-2,3-Bis(pentanoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
IUPAC Name	[(2R)-2,3-Di(pentanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	425.5
Molecular Formula	C18H36NO8P
Canonical SMILES	CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC
InChI	InChI=1S/C18H36NO8P/c1-6-8-10-17(20)24-14-16(27-18(21)11-9-7-2)15-26-28(22,23)25-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1
InChI Key	YCBVRDMSFWAKDH-MRXNPFEDSA-N
Purity	99%+
Complexity	498
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	425.2178541
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC
Monoisotopic Mass	425.2178541
Physical State	Powder
Rotatable Bond Count	18
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

The molecular formula is C18H36NO8P.

What is the exact mass of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

The exact mass is 425.21785410.

Can you provide the IUPAC name of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

The IUPAC name is [(2R)-2,3-di(pentanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the Canonical SMILES representation of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

CCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC

How many Heavy Atoms are present in 1,2-Divaleryl-sn-glycero-3-phosphocholine?

There are 28 Heavy Atoms.

What is the Complex Properties Complexity of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

The complexity is 498.

What is the XLogP3 value of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

The XLogP3 value is 1.5.

Can you provide some Depositor-Supplied Synonyms of 1,2-Divaleryl-sn-glycero-3-phosphocholine?

Some synonyms include Divaleroylphosphatidylcholine and 1,2-dipentanoyl-sn-glycero-3-phosphocholine.

How many Hydrogen Bond Acceptor Counts are there in 1,2-Divaleryl-sn-glycero-3-phosphocholine?

There are 8 Hydrogen Bond Acceptor Counts.

Does 1,2-Divaleryl-sn-glycero-3-phosphocholine have any Isotope Atom Counts?

No, there are 0 Isotope Atom Counts.

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