MolPort-001-788-458

Synopsis, Chemistry

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Also known as: 555-44-2, Glycerol tripalmitate, Glyceryl tripalmitate, Tripalmitoylglycerol, Propane-1,2,3-triyl tripalmitate, Palmitic triglyceride

Molecular Formula

C₅₁H₉₈O₆

Molecular Weight

807.3 g/mol

InChI Key

PVNIQBQSYATKKL-UHFFFAOYSA-N

FDA UNII

D133ZRF50U

TG(16:0/16:0/16:0) is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

MolPort-001-788-458

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-di(hexadecanoyloxy)propyl hexadecanoate

2.1.2 InChI

InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3

2.1.3 InChI Key

PVNIQBQSYATKKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

D133ZRF50U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Glycero-tripalmitate

2. Glyceryl Tripalmitate

3. Tripalmitoyl Glycerol

4. Tripalmitoylglycerol

5. Tripalmitylglycerol

2.3.2 Depositor-Supplied Synonyms

1. 555-44-2

2. Glycerol Tripalmitate

3. Glyceryl Tripalmitate

4. Tripalmitoylglycerol

5. Propane-1,2,3-triyl Tripalmitate

6. Palmitic Triglyceride

7. Tripalmitate

8. Dynasan 116

9. Triglyceryl Palmitate

10. Barolub

11. Glyceryl Trihexadecanoate

12. Spezialfett 116

13. Tripalmitin [inn]

14. Hexadecanoic Acid, 1,2,3-propanetriyl Ester

15. Barolub Lcd

16. Palmitic Acid Triglycerin Ester

17. Palmitin, Tri-

18. Glycerin Tripalmitate

19. Dynosan 114

20. 1,2,3-trihexadecanoyl-glycerol

21. 1,2,3-trihexadecanoyl-sn-glycerol

22. Hexadecanoic Acid, 1,1',1''-(1,2,3-propanetriyl) Ester

23. 1,2,3-propanetriol Trihexadecanoate

24. Tg(16:0/16:0/16:0)

25. D133zrf50u

26. Chebi:77393

27. 1,2,3-propanetriyl Trihexadecanoate

28. Mfcd00008995

29. Propane-1,2,3-triyl Trihexadecanoate

30. Ncgc00160468-01

31. Speziafett 116

32. Ccris 6992

33. Einecs 209-098-1

34. Brn 1811188

35. Unii-d133zrf50u

36. Ai3-31759

37. Triglyceride Ppp

38. Glyceryltripalmitate

39. Trihexadecanoylglycerol

40. Tripalmitin [mi]

41. 2,3-di(hexadecanoyloxy)propyl Hexadecanoate

42. Tripalmitin [inci]

43. Dsstox_cid_26169

44. Dsstox_rid_81400

45. Glyceryl Trihexadecanoic Acid

46. Dsstox_gsid_46169

47. Schembl24941

48. 4-02-00-01176 (beilstein Handbook Reference)

49. Tripalmitin Or 1,2,3-propanetriyl Trihexadecanoate

50. 1,2,3-trihexadecanoylglycerol

51. Glyceryl Tripalmitate, >=85%

52. Glyceryl Tripalmitate, >=99%

53. Chembl2002154

54. Dtxsid8046169

55. Zinc8214701

56. Tox21_111834

57. Lmgl03010001

58. Akos015899780

59. Cs-w013777

60. Hy-w013061

61. Triacylglycerol 16:0-16:0-16:0

62. 2,3-bis(palmitoyloxy)propyl Palmitate #

63. Ncgc00160468-02

64. Tripalmitin, Nist(r) Srm(r) 1595

65. As-60925

66. Cas-555-44-2

67. Ft-0603470

68. G0091

69. G0213

70. T3096

71. D90728

72. T-6810

73. 1,3-bis(hexadecanoyloxy)propan-2-yl Hexadecanoate

74. A870166

75. Sr-01000944841

76. Q7843226

77. Sr-01000944841-1

78. Tg 16:0/16:0/16:0

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅₁H₉₈O₆
Molecular Weight	807.3 g/mol
XLogP3	21.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	50
Exact Mass	806.73634084 g/mol
Monoisotopic Mass	806.73634084 g/mol
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	798
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1