AA89071
166663-25-8 | Anidulafungin
Manufacturer: A2B Chem
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CatalogNumber
AA89071
ChemicalName
Anidulafungin
CasNumber
166663-25-8
MolecularFormula
C58H73N7O17
MolecularWeight
1140.2369
MdlNumber
MFCD00917070
Smiles
CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(cc1)O)O)O)C(O)C)C
Complexity
2150
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
15
HeavyAtomCount
82
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
14
RotatableBondCount
14
Xlogp3
2.3
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CatalogNumber: AA89071
ChemicalName: Anidulafungin
CasNumber: 166663-25-8
MolecularFormula: C58H73N7O17
MolecularWeight: 1140.2369
MdlNumber: MFCD00917070
Smiles: CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(cc1)O)O)O)C(O)C)C
Complexity: 2150
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 15
HeavyAtomCount: 82
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 14
RotatableBondCount: 14
Xlogp3: 2.3
CatalogNumber:
AA89071
ChemicalName:
Anidulafungin
CasNumber:
166663-25-8
MolecularFormula:
C58H73N7O17
MolecularWeight:
1140.2369
MdlNumber:
MFCD00917070
Smiles:
CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CN2C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(O)C)CC(C2)O)C(C(c1ccc(cc1)O)O)O)C(O)C)C
Complexity:
2150
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
15
HeavyAtomCount:
82
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
14
RotatableBondCount:
14
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC1C2CC3CC1CC(C2)C3
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC1C2CC3CC1CC(C2)C3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSC(=S)O[C@@H]1[C@H](O[C@H]2[C@H]1OC(O2)(C)C)C1COC(O1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSC(=S)O[C@@H]1[C@H](O[C@H]2[C@H]1OC(O2)(C)C)C1COC(O1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA89077
ChemicalName: 1-(Methylamino)propan-2-ol
CasNumber: 16667-45-1
MolecularFormula: C4H11NO
MolecularWeight: 89.1362
MdlNumber: MFCD00089199
Smiles: CNCC(O)C
Complexity: 30.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AA89077
ChemicalName:
1-(Methylamino)propan-2-ol
CasNumber:
16667-45-1
MolecularFormula:
C4H11NO
MolecularWeight:
89.1362
MdlNumber:
MFCD00089199
Smiles:
CNCC(O)C
Complexity:
30.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.5