AB45413
5399-87-1 | 6-Chloropurine riboside
Manufacturer: A2B Chem
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CatalogNumber
AB45413
ChemicalName
6-Chloropurine riboside
CasNumber
5399-87-1
MolecularFormula
C10H11ClN4O4
MolecularWeight
286.6717399999999
MdlNumber
MFCD00005738
Smiles
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2Cl
Complexity
339
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB45413
ChemicalName: 6-Chloropurine riboside
CasNumber: 5399-87-1
MolecularFormula: C10H11ClN4O4
MolecularWeight: 286.6717399999999
MdlNumber: MFCD00005738
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2Cl
Complexity: 339
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB45413
ChemicalName:
6-Chloropurine riboside
CasNumber:
5399-87-1
MolecularFormula:
C10H11ClN4O4
MolecularWeight:
286.6717399999999
MdlNumber:
MFCD00005738
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2Cl
Complexity:
339
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AB45414
ChemicalName: 6-Chloropyrazine-2-carbonitrile
CasNumber: 6863-74-7
MolecularFormula: C5H2ClN3
MolecularWeight: 139.5425
MdlNumber: MFCD09607699
Smiles: Clc1cncc(n1)C#N
Complexity: 138
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
AB45414
ChemicalName:
6-Chloropyrazine-2-carbonitrile
CasNumber:
6863-74-7
MolecularFormula:
C5H2ClN3
MolecularWeight:
139.5425
MdlNumber:
MFCD09607699
Smiles:
Clc1cncc(n1)C#N
Complexity:
138
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(nn1)Cl
Complexity: 142
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(nn1)Cl
Complexity:
142
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(=O)[nH]c(=O)[nH]1
Complexity: 199
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(=O)[nH]c(=O)[nH]1
Complexity:
199
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3