3′-O-(6-O-Acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)-2′-adenylic acid

CAS Registry Number®

149091-93-0

CAS Name

3′-O-(6-O-Acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)-2′-adenylic acid

Molecular Formula

C18H28N5O19P3

Molecular Mass

711.36

Cite this Page

3′-O-(6-O-Acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)-2′-adenylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149091-93-0 (retrieved 2024-11-23) (CAS RN: 149091-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1

InChIKey

InChIKey=ZYMMXLQDBUGSID-WKGHCRPTSA-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](COC(C)=O)O2)N3C=4C(N=C3)=C(N)N=CN4

Canonical SMILES

O=C(OCC1OC(OC2C(OC(N3C=NC=4C(=NC=NC43)N)C2OP(=O)(O)O)CO)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)C

Other Names for this Substance

  • 2′-Adenylic acid, 3′-O-(6-O-acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)-
  • 3′-O-(6-O-Acetyl-3,4-di-O-phosphono-α-D-glucopyranosyl)-2′-adenylic acid
  • Adenophostin B

CAS INSIGHTSTM
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