Nudiposide

Base Information

• Chemical Name: Nudiposide
• CAS No.: 62058-46-2
• Molecular Formula: C27H36O12
• Molecular Weight: 552.576
• ChEMBL ID: CHEMBL466738
• DSSTox Substance ID: DTXSID201318474
• Metabolomics Workbench ID: 137015
• Nikkaji Number: J18.367I
• Wikidata: Q104396246
• Mol file: 62058-46-2.mol

Synonyms:nudiposide;62058-46-2;(2R,3R,4S,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol;[(1R)-1,2,3,4-Tetrahydro-7-hydroxy-1beta-(4-hydroxy-3,5-dimethoxyphenyl)-3beta-hydroxymethyl-6,8-dimethoxynaphthalen-2alpha-yl]methyl beta-D-xylopyranoside;CHEMBL466738;DTXSID201318474;HY-N8289;BDBM50378459;AKOS040762129;CS-0142718

Chemical Property of Nudiposide

Chemical Property:

• Boiling Point: 756.1±60.0 °C(Predicted)
• PKA: 10.05±0.40(Predicted)
• PSA: 176.76000
• Density: 1.46±0.1 g/cm3(Predicted)
• LogP: 0.50050
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 552.22067658
• Heavy Atom Count: 39
• Complexity: 744

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(CO4)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]([C@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O