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DSPE-SPDP

CAT: 0127-BIPG2435-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2435-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144735-79-5
Purity
≥95%
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCC (COP (=O) ([O-]) OCCNC (CSSC1=CC=CC=N1) C (=O) [O-]) OC (=O) CCCCCCCCCCCCCCCCC.[Na+].[Na+]

Chemical Information

Dspe-pdp
CAS Number144735-79-5
PubChem CID163304507
IUPAC Namedisodium;2-[2-[2,3-di(octadecanoyloxy)propoxy-oxidophosphoryl]oxyethylamino]-3-(pyridin-2-yldisulfanyl)propanoate
Molecular FormulaC49H87N2Na2O10PS2
Molecular Weight1005.3
Topological Polar Surface Area227
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count49
Heavy Atom Count66
Formal Charge0
Complexity1150
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(CSSC1=CC=CC=N1)C(=O)[O-])OC(=O)CCCCCCCCCCCCCCCCC.[Na+].[Na+]
InChI
InChI=1S/C49H89N2O10PS2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-47(52)58-41-44(61-48(53)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-60-62(56,57)59-40-39-50-45(49(54)55)43-63-64-46-35-33-34-38-51-46;;/h33-35,38,44-45,50H,3-32,36-37,39-43H2,1-2H3,(H,54,55)(H,56,57);;/q;2*+1/p-2
InChIKey
YTPQSMSJANVMQW-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Dspe-pdp
CAS: 144735-79-5
CID: 163304507
Formula: C49H87N2Na2O10PS2
MW: 1005.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1005.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count49
Exact Mass1004.53351488
Monoisotopic Mass1004.53351488
Topological Polar Surface Area227 Ų
Heavy Atom Count66
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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