AA08106
102029-87-8 | Adp di(monocyclohexylammonium) salt
Manufacturer: A2B Chem
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CatalogNumber
AA08106
ChemicalName
Adp di(monocyclohexylammonium) salt
CasNumber
102029-87-8
MolecularFormula
C22H41N7O10P2
MolecularWeight
625.5494
MdlNumber
MFCD00058338
Smiles
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
Complexity
684
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
HeavyAtomCount
41
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
8
RotatableBondCount
6
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CatalogNumber: AA08106
ChemicalName: Adp di(monocyclohexylammonium) salt
CasNumber: 102029-87-8
MolecularFormula: C22H41N7O10P2
MolecularWeight: 625.5494
MdlNumber: MFCD00058338
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
Complexity: 684
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 8
RotatableBondCount: 6
CatalogNumber:
AA08106
ChemicalName:
Adp di(monocyclohexylammonium) salt
CasNumber:
102029-87-8
MolecularFormula:
C22H41N7O10P2
MolecularWeight:
625.5494
MdlNumber:
MFCD00058338
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
Complexity:
684
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
8
RotatableBondCount:
6
CatalogNumber: AA08107
ChemicalName: H-Ala-nh2 HBr
CasNumber: 102029-80-1
MolecularFormula: C3H9BrN2O
MolecularWeight: 169.0204
MdlNumber: MFCD00050707
Smiles: NC(=O)[C@@H](N)C.Br
Complexity: 61.8
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA08107
ChemicalName:
H-Ala-nh2 HBr
CasNumber:
102029-80-1
MolecularFormula:
C3H9BrN2O
MolecularWeight:
169.0204
MdlNumber:
MFCD00050707
Smiles:
NC(=O)[C@@H](N)C.Br
Complexity:
61.8
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN[C@@H](CC(C)C)CO
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CN[C@@H](CC(C)C)CO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(=O)OCC)CC(C)C
Complexity: 193
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(=O)OCC)CC(C)C
Complexity:
193
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__