Gluconapoleiferin

Base Information

• Chemical Name: Gluconapoleiferin
• CAS No.: 19764-03-5
• Molecular Formula: C12H21 N O10 S2
• Molecular Weight: 403.43
• DSSTox Substance ID: DTXSID20941527
• Mol file: 19764-03-5.mol

Synonyms:Gluconapoleiferin;19764-03-5;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxyhex-5-enimidothioate;2-Hydroxy-4-pentenyl glucosinolate;DTXSID20941527;Gluconapoleiferin (2-Hydroxy-4-enyl-GS);NS00094465;C08416;1-S-[3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl]-1-thiohexopyranose

Chemical Property of Gluconapoleiferin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 222.85000
• Density: g/cm³
• LogP: -1.28230
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 403.06068821
• Heavy Atom Count: 25
• Complexity: 563

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(CC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O)O
• Isomeric SMILES: C=CC[C@@H](CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O