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DSPE-MPEG2000

CAT: 0127-OR1013094-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013094-03Size:1 g
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CAS Number
147867-65-0
Purity
95%, MW5000
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
Notes
MW 5000

Chemical Information

Mpeg-2000-dspe
CAS Number147867-65-0
PubChem CID86278269
IUPAC Namesodium [(2R)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate
Molecular FormulaC45H87NNaO11P
Molecular Weight872.1
Topological Polar Surface Area159
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Heavy Atom Count59
Formal Charge0
Complexity994
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C45H88NO11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(47)54-40-42(41-56-58(50,51)55-37-36-46-45(49)53-39-38-52-3)57-44(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,46,49)(H,50,51);/q;+1/p-1/t42-;/m1./s1
InChIKey
SRLOHQKOADWDBV-NRONOFSHSA-M
Chemical Structure
2D Structure
2D structure of Mpeg-2000-dspe
CAS: 147867-65-0
CID: 86278269
Formula: C45H87NNaO11P
MW: 872.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight872.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Exact Mass871.59144387
Monoisotopic Mass871.59144387
Topological Polar Surface Area159 Ų
Heavy Atom Count59
Formal Charge0
Complexity994
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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