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4ME 16:0 PG (sodium)

CAT: 0804-HY-N15993Size: 1 EachDry Ice: NoHazardous: No
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Description
4ME 16:0 PG monosodium is a diphytanoyl lipid.
CAS Number
474967-73-2
UNSPSC
12352211
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
OC(COP(OC[C@H](OC(CC(C)CCCC(C)CCCC(C)CCCC(C)C)=O)COC(CC(C)CCCC(C)CCCC(C)CCCC(C)C)=O)(O[Na])=O)CO
Molecular Formula
C46H90NaO10P
Molecular Weight
857.16
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

4ME 16:0 PG, 1,2-diphytanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt), powder
CAS Number474967-73-2
PubChem CID136212541
IUPAC Namesodium [(2R)-2,3-bis(3,7,11,15-tetramethylhexadecanoyloxy)propyl] 2,3-dihydroxypropyl phosphate
Molecular FormulaC46H90NaO10P
Molecular Weight857.2
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count40
Heavy Atom Count58
Formal Charge0
Complexity1050
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C.[Na+]
InChI
InChI=1S/C46H91O10P.Na/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-45(49)53-33-44(34-55-57(51,52)54-32-43(48)31-47)56-46(50)30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4;/h35-44,47-48H,11-34H2,1-10H3,(H,51,52);/q;+1/p-1/t37?,38?,39?,40?,41?,42?,43?,44-;/m1./s1
InChIKey
GUJNHTGUHSBJQF-OGBLTUKTSA-M
Chemical Structure
2D Structure
2D structure of 4ME 16:0 PG, 1,2-diphytanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt), powder
CAS: 474967-73-2
CID: 136212541
Formula: C46H90NaO10P
MW: 857.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight857.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count40
Exact Mass856.61693034
Monoisotopic Mass856.61693034
Topological Polar Surface Area152 Ų
Heavy Atom Count58
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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