AI55005
68892-42-2 | N2-Isobutyryl-2'-deoxyguanosine
Manufacturer: A2B Chem
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CatalogNumber
AI55005
ChemicalName
N2-Isobutyryl-2'-deoxyguanosine
CasNumber
68892-42-2
MolecularFormula
C14H19N5O5
MolecularWeight
337.33115999999984
MdlNumber
MFCD00010060
Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(NC(=O)C(C)C)nc2=O
Complexity
554
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
0.3
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CatalogNumber: AI55005
ChemicalName: N2-Isobutyryl-2'-deoxyguanosine
CasNumber: 68892-42-2
MolecularFormula: C14H19N5O5
MolecularWeight: 337.33115999999984
MdlNumber: MFCD00010060
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(NC(=O)C(C)C)nc2=O
Complexity: 554
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: 0.3
CatalogNumber:
AI55005
ChemicalName:
N2-Isobutyryl-2'-deoxyguanosine
CasNumber:
68892-42-2
MolecularFormula:
C14H19N5O5
MolecularWeight:
337.33115999999984
MdlNumber:
MFCD00010060
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(NC(=O)C(C)C)nc2=O
Complexity:
554
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NC(=O)N)CC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NC(=O)N)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI55007
ChemicalName: Galbanum oxyacetate
CasNumber: 68901-15-5
MolecularFormula: C11H18O3
MolecularWeight: 198.2588200000001
MdlNumber: MFCD00083564
Smiles: C=CCOC(=O)COC1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI55007
ChemicalName:
Galbanum oxyacetate
CasNumber:
68901-15-5
MolecularFormula:
C11H18O3
MolecularWeight:
198.2588200000001
MdlNumber:
MFCD00083564
Smiles:
C=CCOC(=O)COC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI55008
ChemicalName: 4-Chloro-2-(piperidin-1-yl)benzonitrile
CasNumber: 689141-95-5
MolecularFormula: C12H13ClN2
MolecularWeight: 220.698
MdlNumber: MFCD09865160
Smiles: N#Cc1ccc(cc1N1CCCCC1)Cl
Complexity: 252
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AI55008
ChemicalName:
4-Chloro-2-(piperidin-1-yl)benzonitrile
CasNumber:
689141-95-5
MolecularFormula:
C12H13ClN2
MolecularWeight:
220.698
MdlNumber:
MFCD09865160
Smiles:
N#Cc1ccc(cc1N1CCCCC1)Cl
Complexity:
252
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2