(2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

HCID 11274101
Substructure searchFind similar structures

Basic information

Standard SMILES
NC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
SBUJHOSQTJFQJX-KSACQAOKSA-N
Molecular formula
C18H36N4O11
Average molar mass
484.5 g/mol

Overview

(1beta)-2alpha-(6-Amino-6-deoxy-alpha-L-glucopyranosyloxy)-6alpha-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-3beta,5beta-diaminocyclohexanol has been reported in Streptomyces hawaiiensis with data available.

Names & identifiers

Preferred name
(2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
IUPAC
(2S,3R,4R,5S,6S)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol

Names & synonyms

CHEMBL223520SCHEMBL29470826SBUJHOSQTJFQJX-KSACQAOKSA-N

Database identifiers

PubChem CID
11274101
ChEMBL
CHEMBL223520
Nikkaji
J2.464.201A

Properties

Computed structural properties

XLogP
-6.9
Topological polar surface area
283 Ų
Hydrogen bond donors
11
Hydrogen bond acceptors
15
Rotatable bonds
6
Heavy atoms
33

Related reactions

9 records
New reaction record

Linked notes

Loading…