Trithymidine diphosphate

CAS Registry Number®

2640-26-8

CAS Name

Trithymidine diphosphate

Molecular Formula

C30H40N6O19P2

Molecular Mass

850.61

Cite this Page

Trithymidine diphosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2640-26-8 (retrieved 2024-11-25) (CAS RN: 2640-26-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    6.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H40N6O19P2/c1-13-7-34(28(42)31-25(13)39)22-4-16(38)20(52-22)11-49-56(45,46)55-18-6-24(36-9-15(3)27(41)33-30(36)44)53-21(18)12-50-57(47,48)54-17-5-23(51-19(17)10-37)35-8-14(2)26(40)32-29(35)43/h7-9,16-24,37-38H,4-6,10-12H2,1-3H3,(H,45,46)(H,47,48)(H,31,39,42)(H,32,40,43)(H,33,41,44)/t16-,17-,18-,19+,20+,21+,22+,23+,24+/m0/s1

InChIKey

InChIKey=NHNQSCZKEGUUKX-DNIZJRTKSA-N

SMILES

O=C1N([C@@H]2O[C@H](COP(O[C@@H]3[C@@H](CO)O[C@H](C3)N4C(=O)NC(=O)C(C)=C4)(=O)O)[C@@H](OP(OC[C@H]5O[C@H](C[C@@H]5O)N6C(=O)NC(=O)C(C)=C6)(=O)O)C2)C=C(C)C(=O)N1

Canonical SMILES

O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4CO)N5C=C(C(=O)NC5=O)C)N6C=C(C(=O)NC6=O)C)C(O)C2

Other Names for this Substance

  • Thymidine, thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-
  • 3′-Thymidylic acid, bimol. 3′,5′′′-ester, 3′′′,5′-ester with thymidine
  • Thymidylyl-(3′→5′)-thymidylyl-(3′→5′)-thymidine
  • Trithymidine diphosphate
  • Thymidylyl-(3′,5′)-thymidylyl-(3′,5′)-thymidine

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Deleted or Replaced CAS Registry Numbers

110668-34-3, 41310-54-7

CAS INSIGHTSTM
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