AA38341
129832-03-7 | Inositol hexaphosphoric acid dipotassium salt
Manufacturer: A2B Chem
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CatalogNumber
AA38341
ChemicalName
Inositol hexaphosphoric acid dipotassium salt
CasNumber
129832-03-7
MolecularFormula
C6H18K2O24P6
MolecularWeight
738.2319
MdlNumber
MFCD00133773
Smiles
OP(=O)(O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O.[K].[K]
Complexity
976
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
HeavyAtomCount
38
HydrogenBondAcceptorCount
24
HydrogenBondDonorCount
10
RotatableBondCount
11
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CatalogNumber: AA38341
ChemicalName: Inositol hexaphosphoric acid dipotassium salt
CasNumber: 129832-03-7
MolecularFormula: C6H18K2O24P6
MolecularWeight: 738.2319
MdlNumber: MFCD00133773
Smiles: OP(=O)(O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O.[K].[K]
Complexity: 976
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 24
HydrogenBondDonorCount: 10
RotatableBondCount: 11
CatalogNumber:
AA38341
ChemicalName:
Inositol hexaphosphoric acid dipotassium salt
CasNumber:
129832-03-7
MolecularFormula:
C6H18K2O24P6
MolecularWeight:
738.2319
MdlNumber:
MFCD00133773
Smiles:
OP(=O)(O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O.[K].[K]
Complexity:
976
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
24
HydrogenBondDonorCount:
10
RotatableBondCount:
11
CatalogNumber: AA38342
ChemicalName: (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride
CasNumber: 129830-38-2
MolecularFormula: C14H23Cl2N3O
MolecularWeight: 320.2579
MdlNumber: MFCD03490488
Smiles: C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N.Cl.Cl
Complexity: 268
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 4
RotatableBondCount: 3
CatalogNumber:
AA38342
ChemicalName:
(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride
CasNumber:
129830-38-2
MolecularFormula:
C14H23Cl2N3O
MolecularWeight:
320.2579
MdlNumber:
MFCD03490488
Smiles:
C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N.Cl.Cl
Complexity:
268
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
4
RotatableBondCount:
3
CatalogNumber: __
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Smiles: O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])O.[K+].[K+].[K+].[K+].[K+].[K+]
Complexity: __
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Smiles:
O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])O.[K+].[K+].[K+].[K+].[K+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(=O)c1ccc(c(c1)C(F)(F)F)Cl
Complexity: 227
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc(c(c1)C(F)(F)F)Cl
Complexity:
227
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__