Metabolites-BOC Sciences

Adenophostin A

Adenophostin A - CAS 149091-92-9

Catalog number: BBF-00035

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Catalog Number BBF-00035
CAS 149091-92-9
Description Adenophostin A is an inositol-1,4,5-triphosphate receptor antagonist produced from Penicillurn brevicompactum SANK 11991. Adenophostin is a potent inositol trisphosphate (IP3) receptor agonist.
Molecular Formula C16H26N5O18P3
Molecular Weight 669.32
Synonyms 2'-Adenylic acid, 3'-O-(3,4-di-O-phosphono-alpha-D-glucopyranosyl)-
IUPAC Name [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N
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
InChI Key RENVITLQVBEFDT-MZQFDOALSA-N
Boiling Point 1155.6°C at 760 mmHg
Purity >95%
Density 2.52 g/cm3
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