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Substance Name: Adenosine, adenylyl-(3'.5')-, mono(hydrogen phosphonate) (ester)
RN: 33009-07-3
InChIKey: QMZQQXHIQHTOMG-XPWFQUROSA-N

Molecular Formula

  • C20-H26-N10-O12-P2

Molecular Weight

  • 660.4314
 
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Names and Synonyms

Synonym

  • EINECS 251-341-9

Systematic Name

  • Adenosine, adenylyl-(3'.5')-, mono(hydrogen phosphonate) (ester)

Registry Numbers

CAS Registry Number

  • 33009-07-3

System Generated Number

  • 0033009073

Structure Descriptors

InChI

1S/C20H26N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)11(31)7(40-19)2-39-44(36,37)42-14-8(1-38-43(34)35)41-20(13(14)33)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33,43H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

InChIKey

QMZQQXHIQHTOMG-XPWFQUROSA-N

Smiles

O(P(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n1c2c(nc1)c(ncn2)N)O)O)[C@H]1[C@H]([C@@H](O[C@@H]1COP(=O)O)n1c2c(nc1)c(ncn2)N)O