1111-39-3,MFCD00151402
Catalog No.:AA008R34

1111-39-3 | ACETYLDIGITOXIN

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$405.00   $283.00
- +
5mg
≥95%
in stock  
$1,679.00   $1,175.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008R34
Chemical Name:
ACETYLDIGITOXIN
CAS Number:
1111-39-3
Molecular Formula:
C43H66O14
Molecular Weight:
806.9757
MDL Number:
MFCD00151402
SMILES:
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C
Properties
Computed Properties
 
Complexity:
1520  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
20  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Literature

Title: Antifungal activity of microbial secondary metabolites.

Journal: PloS one 20110101

Title: Three-dimensional quantitative structure-activity relationship analysis of ligand binding to human sequence antidigoxin monoclonal antibodies using comparative molecular field analysis.

Journal: Journal of medicinal chemistry 20020718

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SDS
Historical Records
Tags:1111-39-3 Molecular Formula|1111-39-3 MDL|1111-39-3 SMILES|1111-39-3 ACETYLDIGITOXIN
Catalog No.: AA008R34
1111-39-3,MFCD00151402
1111-39-3 | ACETYLDIGITOXIN
Pack Size: 1mg
Purity: ≥95%
in stock
$405.00 $283.00
Pack Size: 5mg
Purity: ≥95%
in stock
$1,679.00 $1,175.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA008R34
Chemical Name: ACETYLDIGITOXIN
CAS Number: 1111-39-3
Molecular Formula: C43H66O14
Molecular Weight: 806.9757
MDL Number: MFCD00151402
SMILES: CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C
Properties
Complexity: 1520  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 20  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 57  
Hydrogen Bond Acceptor Count: 14  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 9  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Literature fold

Title: Antifungal activity of microbial secondary metabolites.

Journal: PloS one20110101

Title: Three-dimensional quantitative structure-activity relationship analysis of ligand binding to human sequence antidigoxin monoclonal antibodies using comparative molecular field analysis.

Journal: Journal of medicinal chemistry20020718

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