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

CAS
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Purity
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CAS
39036-04-9
Size
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Purity
>99%
Price
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Availability
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Catalog Number

ACM39036049

Product Name

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

Structure

Structure

CAS

39036-04-9

Category

Heterocyclic Organic Compound

Synonyms

Fos-Choline12; FOS12

IUPAC Name

[(2R)-2,3-di(heptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Molecular Weight

351.46

Molecular Formula

C17H38NO4P

Canonical SMILES

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

InChI

InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m1/s1

InChI Key

RBFSPQDASPEAID-HXUWFJFHSA-N

Appearance

Powder

Complexity

556

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

1

Exact Mass

481.28045436

Formal Charge

0

Heavy Atom Count

32

Hydrogen Bond Acceptor Count

8

Hydrogen Bond Donor Count

0

Isomeric SMILES

CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC

Monoisotopic Mass

481.28045436

Physical State

Powder

Rotatable Bond Count

22

Stability

1 Year

Storage Conditions

-20 °C

Topological Polar Surface Area

111 Å²

XLogP3-AA

3.7

MSDS

COA

Spec Sheet

Download Spec Sheet

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

The CAS number of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 39036-04-9.

How many heavy atoms are present in the molecular formula of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

There are 32 heavy atoms in the molecular formula of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

What is the formal charge of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

The formal charge of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 0.

How many rotatable bonds are present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

There are 22 rotatable bonds present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

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

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

How many hydrogen bond acceptors are present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptors present in 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

What is the topological polar surface area of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine?

The topological polar surface area of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 111.

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

The molecular weight of 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is 481.6g/mol.

Provide another name or synonym for 1,2-Diheptanoyl-sn-glycero-3-phosphocholine.

Another name for 1,2-Diheptanoyl-sn-glycero-3-phosphocholine is Diheptanoyllecithin.

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