AA33052
119798-08-2 | Boc4-sper-co2h
Manufacturer: A2B Chem
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CatalogNumber
AA33052
ChemicalName
Boc4-sper-co2h
CasNumber
119798-08-2
MolecularFormula
C31H58N4O10
MolecularWeight
646.8130200000002
MdlNumber
MFCD06656442
Smiles
O=C(OC(C)(C)C)NCCCN(C(=O)OC(C)(C)C)CCC[C@H](N(C(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C)C(=O)O
Complexity
975
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
45
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
22
Xlogp3
4.5
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CatalogNumber: AA33052
ChemicalName: Boc4-sper-co2h
CasNumber: 119798-08-2
MolecularFormula: C31H58N4O10
MolecularWeight: 646.8130200000002
MdlNumber: MFCD06656442
Smiles: O=C(OC(C)(C)C)NCCCN(C(=O)OC(C)(C)C)CCC[C@H](N(C(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C)C(=O)O
Complexity: 975
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 22
Xlogp3: 4.5
CatalogNumber:
AA33052
ChemicalName:
Boc4-sper-co2h
CasNumber:
119798-08-2
MolecularFormula:
C31H58N4O10
MolecularWeight:
646.8130200000002
MdlNumber:
MFCD06656442
Smiles:
O=C(OC(C)(C)C)NCCCN(C(=O)OC(C)(C)C)CCC[C@H](N(C(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C)C(=O)O
Complexity:
975
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
22
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1c(F)c(F)c(c(c1Cl)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c(F)c(F)c(c(c1Cl)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA33054
ChemicalName: Tetrachlorocatechol
CasNumber: 1198-55-6
MolecularFormula: C6H2Cl4O2
MolecularWeight: 247.89088000000004
MdlNumber: MFCD00002190
Smiles: Oc1c(O)c(Cl)c(c(c1Cl)Cl)Cl
Complexity: 150
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
AA33054
ChemicalName:
Tetrachlorocatechol
CasNumber:
1198-55-6
MolecularFormula:
C6H2Cl4O2
MolecularWeight:
247.89088000000004
MdlNumber:
MFCD00002190
Smiles:
Oc1c(O)c(Cl)c(c(c1Cl)Cl)Cl
Complexity:
150
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1csc2c1cc(Cl)cc2
Complexity: 165
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1csc2c1cc(Cl)cc2
Complexity:
165
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1