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

Catalog Number	ACM27869472
CAS	27869-47-2
Structure
Synonyms	11:0 PC
IUPAC Name	2,3-Di(undecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	593.8
Molecular Formula	C30H60NO8P
Canonical SMILES	CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC
InChI	InChI=1S/C30H60NO8P/c1-6-8-10-12-14-16-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-17-15-13-11-9-7-2/h28H,6-27H2,1-5H3
InChI Key	XCCDCYFQYUARAY-UHFFFAOYSA-N
Purity	99%+
Complexity	675
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	593.40565487
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	593.40565487
Physical State	Powder
Rotatable Bond Count	30
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

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

The molecular formula is C30H60NO8P.

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

The molecular weight is 593.8g/mol.

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

The canonical SMILES is CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC.

How many heavy atoms are present in 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

There are 40 heavy atoms.

What is the computed properties complexity of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The complexity is 675.

How many rotatable bonds are present in the chemical structure of 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

There are 30 rotatable bonds.

What are some depositor-supplied synonyms for 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

Some synonyms include PC(11:0/11:0), 11:0 PC, and LMGP01010407.

What is the InChIKey for 1,2-Diundecanoyl-sn-glycero-3-phosphocholine?

The InChIKey is XCCDCYFQYUARAY-MUUNZHRXSA-N.

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

The exact mass is 593.40565487.

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

There are 8 hydrogen bond acceptor counts.

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