Vaccine Lab / Alfa Chemistry
1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine

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1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine

Catalog Number ACM253685277
CAS 253685-27-7
Structure
Synonyms (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl bis(decanoate)
IUPAC Name [(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] decanoate
Molecular Weight 523.6
Molecular Formula C25H50NO8P
Canonical SMILES CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC
InChI InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/t23-/m1/s1
InChI Key KKOSJVWUOHEQKA-HSZRJFAPSA-N
Purity 98%+
Complexity 576
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 523.32740455
Heavy Atom Count 35
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 2
Isomeric SMILES CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC
Monoisotopic Mass 523.32740455
Physical State Solid
Rotatable Bond Count 27
Storage Conditions -20 °C
Topological Polar Surface Area 134 Ų
Knowledge & Learning Case Study Q&A

What is the molecular formula of 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

The molecular formula is C25H50NO8P.

What is the exact mass of 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

The exact mass is 523.32740455.

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

There are 9 hydrogen bond acceptor counts.

What is the Canonical SMILES representation of 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC

What is the IUPAC Name of 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-decanoyloxypropyl] decanoate

How many heavy atoms are there in 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

There are 35 heavy atoms.

Is 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine chiral?

Yes, it has 1 defined atom stereocenter count, making it chiral.

What is the XLogP3 value of 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

The XLogP3 value is 3.8.

What is the Covalently-Bonded Unit Count of 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

The Covalently-Bonded Unit Count is 1.

What are some other names or synonyms for 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine?

Some synonyms include PE(10:0/10:0), PEX, LMGP02010101, NS00073966, and more.

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