DSSTox_CID_3661

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Also known as: 50-89-5, Deoxythymidine, 2'-deoxythymidine, Thymidin, 5-methyldeoxyuridine, Beta-thymidine

Molecular Formula

C₁₀H₁₄N₂O₅

Molecular Weight

242.23 g/mol

InChI Key

IQFYYKKMVGJFEH-XLPZGREQSA-N

FDA UNII

VC2W18DGKR

A nucleoside in which THYMINE is linked to DEOXYRIBOSE.

1 2D Structure

DSSTox_CID_3661

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

2.1.3 InChI Key

IQFYYKKMVGJFEH-XLPZGREQSA-N

2.1.4 Canonical SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

2.1.5 Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O

2.2 Other Identifiers

2.2.1 UNII

VC2W18DGKR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2' Deoxythymidine

2. 2'-deoxythymidine

3. Deoxythymidine

2.3.2 Depositor-Supplied Synonyms

1. 50-89-5

2. Deoxythymidine

3. 2'-deoxythymidine

4. Thymidin

5. 5-methyldeoxyuridine

6. Beta-thymidine

7. Dthyd

8. Thymine-2-desoxyriboside

9. 5-methyldeoxyurindine

10. 5-methyl-2'-deoxyuridine

11. Deoxyribothymidine

12. Thymine-2-deoxyriboside

13. Thyminedeoxyriboside

14. Thymine Deoxyriboside

15. Dthd

16. 2'-thymidine

17. Uridine, 2'-deoxy-5-methyl-

18. Dt

19. Zidovudine Related Compound D

20. Doxribtimine

21. Thymine 2'-deoxyriboside

22. 2'-deoxy-5-methyluridine

23. Ai3-52267

24. Beta-d-ribofuranoside, Thymine-1 2-deoxy-

25. 157049-39-3

26. Nsc 21548

27. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

28. Chebi:17748

29. Thymine 2-desoxyriboside

30. Vc2w18dgkr

31. 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione

32. 2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-

33. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

34. 1-((2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1h,3h)-dione

35. Nsc-21548

36. [3h]-thymidine

37. Ncgc00142484-03

38. Mfcd00006537

39. Alpha-tritiated Thymidine

40. 146183-25-7

41. 157049-40-6

42. Thm

43. 1-(2-deoxy-.beta.-d-ribofuranosyl)-5-methyluracil

44. 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione

45. 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione (thymidine)

46. 1-((2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)-5-methylpyrimidine-2,4(1h,3h)-dione

47. Ccris 1283

48. Einecs 200-070-4

49. Unii-vc2w18dgkr

50. Deoxyribosylthymine

51. 4qsv

52. Thymidinedeoxyriboside

53. 1w2g

54. Thymidine, >=99%

55. Bdbm1

56. Thymidine [mi]

57. Thymidine [inci]

58. Thymidine (8ci,9ci)

59. Dsstox_cid_3661

60. Doxribtimine [inn]

61. Bmse000244

62. Epitope Id:138113

63. Thymidine [mart.]

64. Ec 200-070-4

65. Thymidine [who-dd]

66. Thymidine [who-ip]

67. 2'-deoxy-5-methyl-uridine

68. Dsstox_rid_77133

69. Dsstox_gsid_23661

70. Schembl19894

71. 50-88-4

72. 2'-dt

73. Chembl52609

74. Gtpl4718

75. Dtxsid5023661

76. Zidovudine Related Compound D Rs

77. Zinc25672

78. Act03217

79. Hy-n1150

80. Str05630

81. Thymidine, >=99.0% (hplc)

82. Tox21_111560

83. Hg1139

84. S4803

85. Akos015895360

86. Stavudine Impurity C [who-ip]

87. Thymine-1 2-deoxy-b-d-ribofuranoside

88. Ac-1475

89. Am83949

90. Ccg-266886

91. Cs-w019644

92. Db04485

93. Cas-50-89-5

94. Deoxythymidine; 2'-deoxythymidine

95. Ncgc00142484-01

96. 1-[(4s,2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-dihydropyri Midine-2,4-dione

97. Stavudine Impurity C [ep Impurity]

98. Thymidine, Vetec(tm) Reagent Grade, 99%

99. Db-030432

100. Zidovudine Impurity E [ep Impurity]

101. T0233

102. Thymine-1 2-deoxy-beta-delta-ribofuranoside

103. 1-(2-deoxy-a-d-ribofuranosyl)-5-methyluracil

104. 1-(2-deoxy-beta-ribofuranosyl)-5-methyluracil

105. C00214

106. Zidovudine Related Compound D [usp-rs]

107. A828337

108. Q422464

109. Sr-01000883981

110. (1-[2-deoxy-beta-d-ribofuranosyl]-5-methyluracil)

111. J-700251

112. Sr-01000883981-1

113. Zidovudine Related Compound D [usp Impurity]

114. Brd-k28309349-001-02-4

115. Q27124084

116. D7e43a69-265b-4daa-bc8f-193fb357140f

117. Thymidine, Powder, Bioreagent, Suitable For Cell Culture

118. 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

119. 1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione

120. 1-(2-deoxy-b-d-erythro-pentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione

121. 1-(2-deoxy-beta-delta-erythro-pentofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione

122. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

123. Zidovudine Related Compound D, United States Pharmacopeia (usp) Reference Standard

124. 1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione [who-ip]

125. 1-(2-deoxy-beta-d-ribofuranosyl)-5-methyluracil; 1-(2-deoxy-beta-d-ribofuranosyl)thymine; Thymine Deoxyriboside; 2'-deoxythymidine; 5-methyldeoxyuridine

126. 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

127. 1211376-53-2

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄N₂O₅
Molecular Weight	242.23 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	242.09027155 g/mol
Monoisotopic Mass	242.09027155 g/mol
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1