CAS
2786-31-4 Purity
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2786-31-4 Purity
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1,2-Diundecanoyl-sn-glycero-3-phosphocholine
CAS
27869-47-2
Catalog Number
ACM27869472
Category
Other Products
Molecular Weight
593.8
Molecular Formula
C30H60NO8P
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Specification
Synonyms
11:0 PC
IUPAC Name
2,3-Di(undecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
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
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
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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