AB50954
56-65-5 | Adenosine triphosphate
Manufacturer: A2B Chem
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CatalogNumber
AB50954
ChemicalName
Adenosine triphosphate
CasNumber
56-65-5
MolecularFormula
C10H16N5O13P3
MolecularWeight
507.181
MdlNumber
MFCD00065467
Smiles
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
Complexity
800
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
31
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
7
RotatableBondCount
8
Xlogp3
-5.7
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CatalogNumber: AB50954
ChemicalName: Adenosine triphosphate
CasNumber: 56-65-5
MolecularFormula: C10H16N5O13P3
MolecularWeight: 507.181
MdlNumber: MFCD00065467
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
Complexity: 800
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 7
RotatableBondCount: 8
Xlogp3: -5.7
CatalogNumber:
AB50954
ChemicalName:
Adenosine triphosphate
CasNumber:
56-65-5
MolecularFormula:
C10H16N5O13P3
MolecularWeight:
507.181
MdlNumber:
MFCD00065467
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
Complexity:
800
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
7
RotatableBondCount:
8
Xlogp3:
-5.7
CatalogNumber: AB50955
ChemicalName: Rhodanine-3-acetic acid
CasNumber: 5718-83-2
MolecularFormula: C5H5NO3S2
MolecularWeight: 191.2281
MdlNumber: MFCD06199283
Smiles: OC(=O)CN1C(=S)SCC1=O
Complexity: 228
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AB50955
ChemicalName:
Rhodanine-3-acetic acid
CasNumber:
5718-83-2
MolecularFormula:
C5H5NO3S2
MolecularWeight:
191.2281
MdlNumber:
MFCD06199283
Smiles:
OC(=O)CN1C(=S)SCC1=O
Complexity:
228
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: AB50956
ChemicalName: Furo[3,4-b]pyridin-5(7h)-one
CasNumber: 5657-51-2
MolecularFormula: C7H5NO2
MolecularWeight: 135.1201
MdlNumber: MFCD01860224
Smiles: O=C1OCc2c1cccn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB50956
ChemicalName:
Furo[3,4-b]pyridin-5(7h)-one
CasNumber:
5657-51-2
MolecularFormula:
C7H5NO2
MolecularWeight:
135.1201
MdlNumber:
MFCD01860224
Smiles:
O=C1OCc2c1cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__