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MPEG-2000-DSPE

CAT: 0572-TRC-M745845-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M745845-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147867-65-0
Synonyms
α-[6-Hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-methoxy-Poly(oxy-1,2-ethanediyl)
Hazard Statement
Causes skin irritation
Smiles
CC(C)(C)OC(N[C@H](/C=C(C)/C(OCC)=O)CC(C=C1)=CC=C1C2=CC=CC=C2)=O
Molecular Formula
(C2H4O)nC43H84NO10P
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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...
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