Adenophostin A

CAS Registry Number®

149091-92-9

CAS Name

Adenophostin A

Molecular Formula

C16H26N5O18P3

Molecular Mass

669.32

Cite this Page

Adenophostin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149091-92-9 (retrieved 2024-11-23) (CAS RN: 149091-92-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1

InChIKey

InChIKey=RENVITLQVBEFDT-MZQFDOALSA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@@H](O[C@H](CO)[C@H]1O[C@@H]2[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](CO)O2)N3C=4C(N=C3)=C(N)N=CN4

Canonical SMILES

O=P(O)(O)OC1C(O)C(OC(CO)C1OP(=O)(O)O)OC2C(OC(N3C=NC=4C(=NC=NC43)N)C2OP(=O)(O)O)CO

Other Names for this Substance

  • 2′-Adenylic acid, 3′-O-(3,4-di-O-phosphono-α-D-glucopyranosyl)-
  • 3′-O-(3,4-Di-O-phosphono-α-D-glucopyranosyl)-2′-adenylic acid
  • Adenophostin A

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