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MPEG2000-DSPE
Also known as: 147867-65-0, Dspe-mpeg2000, Peg2000-dspe, 156543-00-9, Sodium;[(2r)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate, 247925-28-6
Molecular Formula
C45H87NNaO11P
Molecular Weight
872.1  g/mol
InChI Key
SRLOHQKOADWDBV-NRONOFSHSA-M

1 2D Structure

MPEG2000-DSPE

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;[(2R)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate
2.1.2 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
2.1.3 InChI Key
SRLOHQKOADWDBV-NRONOFSHSA-M
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
2.1.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147867-65-0

2. Dspe-mpeg2000

3. Peg2000-dspe

4. 156543-00-9

5. Sodium;[(2r)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl Phosphate

6. 247925-28-6

7. Methyl-peg2000-dspe

8. M-peg-dspe, Mw 550

9. M-peg-dspe, Mw 1,000

10. M-peg-dspe, Mw 2,000

11. M-peg-dspe, Mw 5,000

12. Bp-25268

13. Bp-25269

14. Bp-25271

15. Bp-27962

16. Hy-112760

17. Cs-0063337

2.2.2 Other Synonyms

1. Mpeg2000-dspe

2.3 Create Date
2014-11-22
3 Chemical and Physical Properties
Molecular Weight 872.1 g/mol
Molecular Formula C45H87NNaO11P
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count48
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area159
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
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