beta-D-Glucopyranosylamine, 4-O-beta-D-glucopyranosyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-

Base Information

• Chemical Name: beta-D-Glucopyranosylamine, 4-O-beta-D-glucopyranosyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-
• CAS No.: 178563-29-6
• Molecular Formula: C22H37 N O10
• Molecular Weight: 475.531
• DSSTox Substance ID: DTXSID20170512
• Wikidata: Q76279142
• Mol file: 178563-29-6.mol

Synonyms:178563-29-6;beta-D-Glucopyranosylamine, 4-O-beta-D-glucopyranosyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-;4-O-beta-D-Glucopyranosyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-ylbeta-D-glucopyranosylamine;(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-adamantylamino)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;4-O-beta-D-Glucopyranosyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-ylbeta-D-g lucopyranosylamine;DTXSID20170512;DMUIWVYYEDVXRR-OCXOTAFCSA-N;C22H37NO10;C22-H37-N-O10;LS-71647

Chemical Property of beta-D-Glucopyranosylamine, 4-O-beta-D-glucopyranosyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-

Chemical Property:

• Vapor Pressure: 2E-25mmHg at 25°C
• Boiling Point: 742.2°Cat760mmHg
• Flash Point: 402.7°C
• PSA: 181.33000
• Density: 1.52g/cm³
• LogP: -2.58430
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 475.24174638
• Heavy Atom Count: 33
• Complexity: 656

Purity/Quality:

4-O-BETA-D-GLUCOPYRANOSYL-N-TRICYCLO(3.3.1.1(SUP-3,7))DEC-2-YL-BETA-D-GLUCOPYRANOSYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)C3NC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O
• Isomeric SMILES: C1C2CC3CC1CC(C2)C3N[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O