AG18026
533-48-2 | D-Desthiobiotin
Manufacturer: A2B Chem
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CatalogNumber
AG18026
ChemicalName
D-Desthiobiotin
CasNumber
533-48-2
MolecularFormula
C10H18N2O3
MolecularWeight
214.2615
MdlNumber
MFCD00213804
Smiles
OC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
Complexity
243
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
0.8
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CatalogNumber: AG18026
ChemicalName: D-Desthiobiotin
CasNumber: 533-48-2
MolecularFormula: C10H18N2O3
MolecularWeight: 214.2615
MdlNumber: MFCD00213804
Smiles: OC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
Complexity: 243
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 0.8
CatalogNumber:
AG18026
ChemicalName:
D-Desthiobiotin
CasNumber:
533-48-2
MolecularFormula:
C10H18N2O3
MolecularWeight:
214.2615
MdlNumber:
MFCD00213804
Smiles:
OC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
Complexity:
243
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc2[nH]cnc2cc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
[O-][N+](=O)c1cc2[nH]cnc2cc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(N)ssc1=S
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(N)ssc1=S
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [2H]C(CC(=O)O)([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[2H]C(CC(=O)O)([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__