Martynoside

Base Information

• Chemical Name: Martynoside
• CAS No.: 67884-12-2
• Molecular Formula: C31H40O15
• Molecular Weight: 652.65
• NSC Number: 729643
• DSSTox Substance ID: DTXSID70415748
• Nikkaji Number: J389.936E,J2.558.904A
• Wikidata: Q72488260
• Metabolomics Workbench ID: 139922
• ChEMBL ID: CHEMBL503531
• Mol file: 67884-12-2.mol

Synonyms:martynoside

Chemical Property of Martynoside

Chemical Property:

• Vapor Pressure: 6.22E-32mmHg at 25°C
• Refractive Index: 1.641
• Boiling Point: 865.1 °C at 760 mmHg
• PKA: 9.73±0.31(Predicted)
• Flash Point: 274.9 °C
• PSA: 223.29000
• Density: 1.48 g/cm³
• LogP: -0.40990
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 13
• Exact Mass: 652.23672056
• Heavy Atom Count: 46
• Complexity: 968

Purity/Quality:

98%min ^*data from raw suppliers

Martynoside 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O