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4ME 16:0 PS sodium

CAT: 0013-GTR19268437-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268437-01Size:50 mg
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Description
4ME 16:0 PS sodium is a type of bisphospholipid.
CAS Number
474967-76-5
Smiles
[O-]C ([C@@H] (N) 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) =O) =O.[Na+]
Molecular Formula
C46H89NNaO10P
Molecular Weight
870.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-diphytanoyl-sn-glycero-3-phospho-L-serine (sodium salt)
CAS Number474967-76-5
PubChem CID139034021
IUPAC Namedisodium;2-amino-3-[2,3-bis(3,7,11,15-tetramethylhexadecanoyloxy)propoxy-oxidophosphoryl]oxypropanoate
Molecular FormulaC46H88NNa2O10P
Molecular Weight892.1
Topological Polar Surface Area177
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count39
Heavy Atom Count60
Formal Charge0
Complexity1110
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C.[Na+].[Na+]
InChI
InChI=1S/C46H90NO10P.2Na/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-44(48)54-31-42(32-55-58(52,53)56-33-43(47)46(50)51)57-45(49)30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4;;/h34-43H,11-33,47H2,1-10H3,(H,50,51)(H,52,53);;/q;2*+1/p-2
InChIKey
MBNBIPFVPCWBKZ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 1,2-diphytanoyl-sn-glycero-3-phospho-L-serine (sodium salt)
CAS: 474967-76-5
CID: 139034021
Formula: C46H88NNa2O10P
MW: 892.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight892.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count39
Exact Mass891.59412357
Monoisotopic Mass891.59412357
Topological Polar Surface Area177 Ų
Heavy Atom Count60
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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