AB00366
17791-52-5 | Boc-His-OH
Manufacturer: A2B Chem
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CatalogNumber
AB00366
ChemicalName
Boc-His-OH
CasNumber
17791-52-5
MolecularFormula
C11H17N3O4
MolecularWeight
255.27037999999996
MdlNumber
MFCD00065576
Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1[nH]cnc1
Complexity
314
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
0.7
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CatalogNumber: AB00366
ChemicalName: Boc-His-OH
CasNumber: 17791-52-5
MolecularFormula: C11H17N3O4
MolecularWeight: 255.27037999999996
MdlNumber: MFCD00065576
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1[nH]cnc1
Complexity: 314
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AB00366
ChemicalName:
Boc-His-OH
CasNumber:
17791-52-5
MolecularFormula:
C11H17N3O4
MolecularWeight:
255.27037999999996
MdlNumber:
MFCD00065576
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1[nH]cnc1
Complexity:
314
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](Cc1cncn1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity: 524
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](Cc1cncn1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Complexity:
524
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CC(=O)c2c(C1=O)c(O)c(cc2O)CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=CC(=O)c2c(C1=O)c(O)c(cc2O)CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)CC(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)CC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__