AB19145
209216-23-9 | Entecavir hydrate
Manufacturer: A2B Chem
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CatalogNumber
AB19145
ChemicalName
Entecavir hydrate
CasNumber
209216-23-9
MolecularFormula
C12H17N5O4
MolecularWeight
295.2945
MdlNumber
MFCD00907887
Smiles
OC[C@@H]1[C@@H](O)C[C@@H](C1=C)n1cnc2c1nc(N)[nH]c2=O.O
Complexity
480
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
5
RotatableBondCount
2
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CatalogNumber: AB19145
ChemicalName: Entecavir hydrate
CasNumber: 209216-23-9
MolecularFormula: C12H17N5O4
MolecularWeight: 295.2945
MdlNumber: MFCD00907887
Smiles: OC[C@@H]1[C@@H](O)C[C@@H](C1=C)n1cnc2c1nc(N)[nH]c2=O.O
Complexity: 480
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 5
RotatableBondCount: 2
CatalogNumber:
AB19145
ChemicalName:
Entecavir hydrate
CasNumber:
209216-23-9
MolecularFormula:
C12H17N5O4
MolecularWeight:
295.2945
MdlNumber:
MFCD00907887
Smiles:
OC[C@@H]1[C@@H](O)C[C@@H](C1=C)n1cnc2c1nc(N)[nH]c2=O.O
Complexity:
480
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
5
RotatableBondCount:
2
CatalogNumber: AB19146
ChemicalName: Methyl (2-cyanophenyl)acetate
CasNumber: 20921-96-4
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD02181139
Smiles: COC(=O)Cc1ccccc1C#N
Complexity: 228
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AB19146
ChemicalName:
Methyl (2-cyanophenyl)acetate
CasNumber:
20921-96-4
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD02181139
Smiles:
COC(=O)Cc1ccccc1C#N
Complexity:
228
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CC(c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CC(c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCCc1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCCc1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__