1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt

• CAS: 154804-54-3
• Catalog Number: ACM154804543
• Category: Other Products
• Molecular Weight: 698.9
• Molecular Formula: C37H72NaO8P
• Synonyms: 17:0 PA
• IUPAC Name: Sodium;[(2R)-2,3-di(heptadecanoyloxy)propyl] hydrogen phosphate
• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
• InChI: InChI=1S/C37H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35H,3-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/t35-;/m1./s1
• InChI Key: IAELRFKIVVBNTO-RUQJKXHKSA-M
• Complexity: 739
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 1
• Exact Mass: 698.48625053
• H-Bond Acceptor: 8
• H-Bond Donor: 1
• Heavy Atom Count: 47
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
• Monoisotopic Mass: 698.48625053
• Physical State: Powder
• Rotatable Bond Count: 38
• Storage Conditions: -20 °C
• Topological Polar Surface Area: 122 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The molecular formula is C37H72NaO8P.

What is the IUPAC name of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The IUPAC name is sodium;[(2R)-2,3-di(heptadecanoyloxy)propyl] hydrogen phosphate.

What is the exact mass of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The exact mass is 698.48625053.

How many heavy atoms are present in the structure?

There are 47 heavy atoms.

What is the topological polar surface area of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The topological polar surface area is 122.

How many rotatable bonds are present in the molecule?

There are 38 rotatable bonds.

What is the CAS number of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The CAS number is 154804-54-3.

How many hydrogen bond acceptors are in the structure?

There are 8 hydrogen bond acceptors.

How many hydrogen bond donors are in the molecule?

There is 1 hydrogen bond donor.

What is the Canonical SMILES representation of 1,2-Diheptadecanoyl-sn-glycero-3-phosphate sodium salt?

The Canonical SMILES is CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+].