AF57570
410536-97-9 | Sirtinol
Manufacturer: A2B Chem
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CatalogNumber
AF57570
ChemicalName
Sirtinol
CasNumber
410536-97-9
MolecularFormula
C26H22N2O2
MolecularWeight
394.4651
MdlNumber
MFCD00810186
Smiles
O=C(c1ccccc1/N=C/c1c(O)ccc2c1cccc2)N[C@@H](c1ccccc1)C
Complexity
586
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
5.3
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CatalogNumber: AF57570
ChemicalName: Sirtinol
CasNumber: 410536-97-9
MolecularFormula: C26H22N2O2
MolecularWeight: 394.4651
MdlNumber: MFCD00810186
Smiles: O=C(c1ccccc1/N=C/c1c(O)ccc2c1cccc2)N[C@@H](c1ccccc1)C
Complexity: 586
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 5.3
CatalogNumber:
AF57570
ChemicalName:
Sirtinol
CasNumber:
410536-97-9
MolecularFormula:
C26H22N2O2
MolecularWeight:
394.4651
MdlNumber:
MFCD00810186
Smiles:
O=C(c1ccccc1/N=C/c1c(O)ccc2c1cccc2)N[C@@H](c1ccccc1)C
Complexity:
586
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
5.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(CC(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(CC(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCO[C@@H]1OC(CO)[C@H]([C@@H](C1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCO[C@@H]1OC(CO)[C@H]([C@@H](C1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H](O)[C@H](OP(=O)(O)[O-])[C@H]([C@@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-].[K+].[K+].[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H](O)[C@H](OP(=O)(O)[O-])[C@H]([C@@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-].[K+].[K+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__