Basic information
- CAS
149091-93-0- Standard SMILES
CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](OP(=O)(O)O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2CO)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O- InChIKey
ZYMMXLQDBUGSID-WKGHCRPTSA-N- Molecular formula
- C18H28N5O19P3
- Average molar mass
- 711.4 g/mol
- Monoisotopic mass
- 711.05913467
Overview
Adenophostin B is a disaccharide phosphate.
Names & identifiers
- Preferred name
- 3'-O-(6-O-Acetyl-3,4-di-O-phosphono-alpha-D-glucopyranosyl)-2'-adenylic acid
- IUPAC
- [(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-phosphonooxyoxolan-3-yl]oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl]methyl acetate
Names & synonyms
Adenophostin B149091-93-0DTXSID401150208RefChem:910482DTXCID1015817633'-O-(6-O-Acetyl-3,4-di-O-phosphono-alpha-D-glucopyranosyl)-2'-adenylic acid((2R,3R,4R,5R,6R)-6-((2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-phosphonooxyoxolan-3-yl)oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl)methyl acetate2'-Adenylic acid, 3'-O-(6-O-acetyl-3,4-di-O-phosphono-alpha-D-glucopyranosyl)-SCHEMBL29711496CHEBI:34525Q271161303a(2)-O-(6-O-Acetyl-3,4-di-O-phosphono-I+/--D-glucopyranosyl)-2a(2)-adenylic acid
Show more names
3'-O-(6-O-Acetyl-3,4-di-O-phosphono-alpha-D-glucopyranosyl)adenosine 2'-(dihydrogen phosphate)
Database identifiers
- CAS
149091-93-0- PubChem CID
- 656722
- DTXSID
DTXSID401150208- ChEBI
Properties
Computed structural properties
- XLogP
- -6.5
- Topological polar surface area
- 364 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…