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

Catalog Number	ACM207131406-1
CAS	207131-40-6
Synonyms	1,2-Diphytanoyl-sn-glycero-3-PC
IUPAC Name	[(2R)-2,3-Bis(3,7,11,15-tetramethylhexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	846.3
Molecular Formula	C48H96NO8P
Canonical SMILES	CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI	InChI=1S/C48H96NO8P/c1-38(2)20-14-22-40(5)24-16-26-42(7)28-18-30-44(9)34-47(50)54-36-46(37-56-58(52,53)55-33-32-49(11,12)13)57-48(51)35-45(10)31-19-29-43(8)27-17-25-41(6)23-15-21-39(3)4/h38-46H,14-37H2,1-13H3/t40,41,42,43,44,45,46-/m1/s1
InChI Key	UKDDQGWMHWQMBI-SOFRWFQSSA-N
Purity	98%+
Complexity	1070
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	845.68735602
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C
Monoisotopic Mass	845.68735602
Physical State	Solid
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

The molecular formula is C48H97NO8P+.

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

The molecular weight is 847.3g/mol.

How many hydrogen bond acceptor counts are there in 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

There are 8 hydrogen bond acceptor counts.

What is the XLogP3 value of 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value is 15.9.

What is the exact mass of 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

The exact mass is 846.69518105.

What is the InChIKey of 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

The InChIKey is UKDDQGWMHWQMBI-UHFFFAOYSA-O.

What are some synonyms for 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

Some synonyms include diphytanoyl lecithin, DPhyPC, and 1,2-diphytanoylphosphatidylcholine.

How many rotatable bond counts are there in 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

There are 40 rotatable bond counts.

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

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

How many defined atom stereocenter counts are there in 1,2-Diphytanoyl-sn-glycero-3-phosphocholine?

There are 0 defined atom stereocenter counts.

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