Gitoformate

Base Information

• Chemical Name: Gitoformate
• CAS No.: 10176-39-3
• Deprecated CAS: 57512-70-6,7685-23-6
• Molecular Formula: C46H64 O19
• Molecular Weight: 921.10
• European Community (EC) Number: 233-450-3
• UNII: B69U29O7J9
• ChEMBL ID: CHEMBL2103959
• Metabolomics Workbench ID: 154334
• NCI Thesaurus Code: C174636
• Nikkaji Number: J8.961C
• Wikipedia: Gitoformate
• Mol file: 10176-39-3.mol

Synonyms:3 beta,14 beta- dihydroxy-16 beta-formyloxy-5 beta-card-20(22)- enolide 3-tetraformyltridigitoxoside;AC 2770;formiloxin;gitoformate;pentaformylgitoxin

Chemical Property of Gitoformate

Chemical Property:

• Refractive Index: 1.567
• Boiling Point: 921.6°Cat760mmHg
• Flash Point: 263.6°C
• PSA: 233.41000
• Density: 1.35g/cm³
• LogP: 6.30110
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 17
• Exact Mass: 920.40417981
• Heavy Atom Count: 65
• Complexity: 1780

Purity/Quality:

98%,99%, ^*data from raw suppliers

GITOFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O
• Isomeric SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O