Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester

CAS Registry Number®

294178-47-5

CAS Name

Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester

Molecular Formula

C16H27N3O13P2

Molecular Mass

531.35

Cite this Page

Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=294178-47-5 (retrieved 2024-11-13) (CAS RN: 294178-47-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-14(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)9(17)3-8(2)29-15/h5,8-13,15,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-,15-/m1/s1

InChIKey

InChIKey=MXOBHOLDACULIR-YIQYKESKSA-N

SMILES

O=C1N([C@@H]2O[C@H](COP(OP(O[C@@H]3[C@H](O)[C@@H](N)C[C@@H](C)O3)(=O)O)(=O)O)[C@@H](O)C2)C=C(C)C(=O)N1

Canonical SMILES

O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)CC(N)C3O)C(O)C2

Other Names for this Substance

  • Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,4,6-trideoxy-α-D-xylo-hexopyranosyl) ester

Deleted or Replaced CAS Registry Numbers

664998-83-8, 1662666-48-9

CAS INSIGHTSTM
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