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

Catalog Number	ACM3355268
CAS	3355-26-8
Structure
Synonyms	Dibutyryl lecithin
IUPAC Name	[(2R)-2,3-Di(butanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	397.4
Molecular Formula	C16H32NO8P
Canonical SMILES	CCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
InChI	InChI=1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/t14-/m1/s1
InChI Key	QIJYAMAPPUXBSC-CQSZACIVSA-N
Purity	99%+
Complexity	469
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	397.18655398
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
Monoisotopic Mass	397.18655398
Physical State	Powder
Rotatable Bond Count	16
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the Canonical SMILES of 1,2-Dibutyryl-sn-glycero-3-phosphocholine?

Canonical SMILES: CCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC

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

Molecular Weight: 397.40 g/mol

What is the IUPAC Name of 1,2-Dibutyryl-sn-glycero-3-phosphocholine?

IUPAC Name: [(2R)-2,3-di(butanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

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

Hydrogen Bond Acceptor Count: 8

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

CAS: 3355-26-8

What is the Computed Properties Rotatable Bond Count of 1,2-Dibutyryl-sn-glycero-3-phosphocholine?

Rotatable Bond Count: 16

What is the Monoisotopic Mass of 1,2-Dibutyryl-sn-glycero-3-phosphocholine?

Monoisotopic Mass: 397.18655398

What are some alternate names for 1,2-Dibutyryl-sn-glycero-3-phosphocholine provided by the Depositor-Supplied Synonyms?

Alternate names: Dibutanoyllecithin, Dibutyryl lecithin, Dibutyrylphosphatidylcholine, 2,3-Bis(butyryloxy)propyl (2-(trimethylammonio)ethyl) phosphate

How many heavy atoms are there in the chemical structure of 1,2-Dibutyryl-sn-glycero-3-phosphocholine?

Heavy Atom Count: 26

What is the UNII number for 1,2-Dibutyryl-sn-glycero-3-phosphocholine?

UNII: KB699DH10E

Our products and services are for research use only and cannot be used for any clinical purposes.

Online Inquiry

1,2-Dibutyryl-sn-glycero-3-phosphocholine (3355-26-8)

Send A Message