N-(4-azidosalicylamide)-1,2-bis(mannos-4'-yloxy)propyl-2-amine

Substructure search Find similar structures

Basic information

CAS: 96622-96-7
Standard SMILES: [N-]=[N+]=Nc1ccc(C(=O)NC(CO[C@@H]([C@H](O)[C@H](O)C=O)[C@H](O)CO)CO[C@H](C(O)CO)[C@H](O)C(O)C=O)c(O)c1
InChIKey: ZNSLKNGOEAEOFJ-SHFKJJOWSA-N
Molecular formula: C22H32N4O14
Average molar mass: 576.5 g/mol
Monoisotopic mass: 576.19150171

Overview

has high affinity for human erythrocyte sugar transport system; structure given in first source

Names & identifiers

Preferred name: N-(4-azidosalicylamide)-1,2-bis(mannos-4'-yloxy)propyl-2-amine
IUPAC: 4-azido-2-hydroxy-N-[1-[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy-3-[(3R,4R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxypropan-2-yl]benzamide
English name: N-(4-azidosalicylamide)-1,2-bis(mannos-4'-yloxy)propyl-2-amine
Molecular formula: C22H32N4O14
Molecular weight: 576.51

Names & synonyms

Asa-bmpa96622-96-7N-(4-Azidosalicylamide)-1,2-bis(mannos-4'-yloxy)propyl-2-amineRefChem:162104D-Mannose, 4,4'-O-(2-((4-azido-2-hydroxybenzoyl)amino)-1,3-propanediyl)bis-, (R)-4-azido-2-hydroxy-N-[1-[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy-3-[(3R,4R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxypropan-2-yl]benzamideD-Mannose, 4,4'-O-(2-((4-azido-2-hydroxybenzoyl)amino)-1,3-propanediyl)bis-

Database identifiers

CAS: 96622-96-7
PubChem CID: 3035649

Properties

Computed structural properties

XLogP: -3.8
Topological polar surface area: 278 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 16
Rotatable bonds: 19
Heavy atoms: 40
Formal charge: 0
Complexity: 795

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…