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

Catalog Number	ACM34506677
CAS	34506-67-7
Structure
Synonyms	Dicaproyl-L-α-lecithin
IUPAC Name	[(2R)-2,3-Di(hexanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	453.5
Molecular Formula	C20H40NO8P
Canonical SMILES	CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
InChI	InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/t18-/m1/s1
InChI Key	DVZARZBAWHITHR-GOSISDBHSA-N
Purity	99%+
Complexity	527
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	453.24915423
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
Monoisotopic Mass	453.24915423
Physical State	Powder
Rotatable Bond Count	20
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine?

The CAS number of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine is 34506-67-7.

How many hydrogen bond acceptor counts does 1,2-Dihexanoyl-sn-glycero-3-phosphocholine have?

1,2-Dihexanoyl-sn-glycero-3-phosphocholine has 8 hydrogen bond acceptor counts.

What is the canonical SMILES notation for 1,2-Dihexanoyl-sn-glycero-3-phosphocholine?

The canonical SMILES notation for 1,2-Dihexanoyl-sn-glycero-3-phosphocholine is CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC.

How many rotatable bond counts does 1,2-Dihexanoyl-sn-glycero-3-phosphocholine have?

1,2-Dihexanoyl-sn-glycero-3-phosphocholine has 20 rotatable bond counts.

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

The molecular formula of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine is C20H40NO8P.

What is the molecular weight of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine is 453.5g/mol.

What is the IUPAC name of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine?

The IUPAC name of 1,2-Dihexanoyl-sn-glycero-3-phosphocholine is [(2R)-2,3-di(hexanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate.

How many covalently-bonded unit counts does 1,2-Dihexanoyl-sn-glycero-3-phosphocholine have?

1,2-Dihexanoyl-sn-glycero-3-phosphocholine has 1 covalently-bonded unit count.

What are some synonyms for 1,2-Dihexanoyl-sn-glycero-3-phosphocholine?

Some synonyms for 1,2-Dihexanoyl-sn-glycero-3-phosphocholine are Dihexanoyllecithin, L-alpha-Dihexanoyllecithin, and PC(6:0/6:0).

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