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15:0-18:1 PS-d7

CAT: 1596-AR-F09773-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F09773-01Size:10 Units
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CAS Number
2260669-40-5
Molecular Formula
C39H67D7NO10P. Na
Molecular Weight
755.03 22.99
API Name
Fatty acid

Chemical Information

sodium [(2S)-2-amino-2-carboxyethyl] [(2R)-2-[(Z)-16,16,17,17,18,18,18-heptadeuteriooctadec-9-enoyl]oxy-3-pentadecanoyloxypropyl] phosphate
CAS Number2260669-40-5
PubChem CID172990359
IUPAC Namesodium [(2S)-2-amino-2-carboxyethyl] [(2R)-2-[(Z)-16,16,17,17,18,18,18-heptadeuteriooctadec-9-enoyl]oxy-3-pentadecanoyloxypropyl] phosphate
Molecular FormulaC39H73NNaO10P
Molecular Weight777.0
Topological Polar Surface Area175
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count40
Heavy Atom Count52
Formal Charge0
Complexity939
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](C(=O)O)N.[Na+]
InChI
InChI=1S/C39H74NO10P.Na/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2;/h17-18,35-36H,3-16,19-34,40H2,1-2H3,(H,43,44)(H,45,46);/q;+1/p-1/b18-17-;/t35-,36+;/m1./s1/i1D3,3D2,5D2;
InChIKey
NVYGCQIGTDPHML-ZYJRWUDRSA-M
Chemical Structure
2D Structure
2D structure of sodium [(2S)-2-amino-2-carboxyethyl] [(2R)-2-[(Z)-16,16,17,17,18,18,18-heptadeuteriooctadec-9-enoyl]oxy-3-pentadecanoyloxypropyl] phosphate
CAS: 2260669-40-5
CID: 172990359
Formula: C39H73NNaO10P
MW: 777.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight777.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count40
Exact Mass776.53091603
Monoisotopic Mass776.53091603
Topological Polar Surface Area175 Ų
Heavy Atom Count52
Formal Charge0
Complexity939
Isotope Atom Count7
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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