12-Mercaptododecylphosphonic acid

• CAS: 159239-33-5
• Catalog Number: ACM159239335
• Category: Biomaterials
• Molecular Weight: 282.38g/mol
• Molecular Formula: C12H27O3PS
• Synonyms: 12-MERCAPTODODECYLPHOSPHONIC ACID;P-(12-Mercaptododecyl)phosphonic acid
• IUPAC Name: 12-sulfanyldodecylphosphonic acid
• SMILES: C(CCCCCCS)CCCCCP(=O)(O)O
• InChI: InChI=1S/C12H27O3PS/c13-16(14,15)11-9-7-5-3-1-2-4-6-8-10-12-17/h17H,1-12H2,(H2,13,14,15)
• InChI Key: PVIUMTORLYKRJT-UHFFFAOYSA-N
• Complexity: 206
• Covalently-Bonded Unit Count: 1
• Exact Mass: 282.141853g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Heavy Atom Count: 17
• Monoisotopic Mass: 282.141853g/mol
• Rotatable Bond Count: 12
• XLogP3: 3.4

Custom Q&A

What is the molecular formula of 12-Mercaptododecylphosphonic acid?

The molecular formula of 12-Mercaptododecylphosphonic acid is C12H27O3PS.

What is the molecular weight of 12-Mercaptododecylphosphonic acid?

The molecular weight of 12-Mercaptododecylphosphonic acid is 282.38 g/mol.

What is the IUPAC name of 12-Mercaptododecylphosphonic acid?

The IUPAC name of 12-Mercaptododecylphosphonic acid is 12-sulfanyldodecylphosphonic acid.

What is the InChI of 12-Mercaptododecylphosphonic acid?

The InChI of 12-Mercaptododecylphosphonic acid is InChI=1S/C12H27O3PS/c13-16(14,15)11-9-7-5-3-1-2-4-6-8-10-12-17/h17H,1-12H2,(H2,13,14,15).

What is the InChIKey of 12-Mercaptododecylphosphonic acid?

The InChIKey of 12-Mercaptododecylphosphonic acid is PVIUMTORLYKRJT-UHFFFAOYSA-N.

What is the canonical SMILES of 12-Mercaptododecylphosphonic acid?

The canonical SMILES of 12-Mercaptododecylphosphonic acid is C(CCCCCCS)CCCCCP(=O)(O)O.

What is the CAS number of 12-Mercaptododecylphosphonic acid?

The CAS number of 12-Mercaptododecylphosphonic acid is 159239-33-5.

How many hydrogen bond donor counts does 12-Mercaptododecylphosphonic acid have?

12-Mercaptododecylphosphonic acid has a hydrogen bond donor count of 3.

How many rotatable bond counts does 12-Mercaptododecylphosphonic acid have?

12-Mercaptododecylphosphonic acid has a rotatable bond count of 12.