AA98431
182748-72-7 | Boc-D-Asp(OBzl)-ol
Manufacturer: A2B Chem
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CatalogNumber
AA98431
ChemicalName
Boc-D-Asp(OBzl)-ol
CasNumber
182748-72-7
MolecularFormula
C16H23NO5
MolecularWeight
309.3575
MdlNumber
MFCD02094135
Smiles
OC[C@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1
Complexity
358
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
1.6
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CatalogNumber: AA98431
ChemicalName: Boc-D-Asp(OBzl)-ol
CasNumber: 182748-72-7
MolecularFormula: C16H23NO5
MolecularWeight: 309.3575
MdlNumber: MFCD02094135
Smiles: OC[C@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1
Complexity: 358
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 1.6
CatalogNumber:
AA98431
ChemicalName:
Boc-D-Asp(OBzl)-ol
CasNumber:
182748-72-7
MolecularFormula:
C16H23NO5
MolecularWeight:
309.3575
MdlNumber:
MFCD02094135
Smiles:
OC[C@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1
Complexity:
358
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C1=CC(=O)c2c(C1=O)cccc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C1=CC(=O)c2c(C1=O)cccc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA98438
ChemicalName: 5-(4-Hydroxyphenyl)-3h-1,2-dithiole-3-thione
CasNumber: 18274-81-2
MolecularFormula: C9H6OS3
MolecularWeight: 226.3383
MdlNumber: MFCD20922704
Smiles: Oc1ccc(cc1)c1ssc(=S)c1
Complexity: 241
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA98438
ChemicalName:
5-(4-Hydroxyphenyl)-3h-1,2-dithiole-3-thione
CasNumber:
18274-81-2
MolecularFormula:
C9H6OS3
MolecularWeight:
226.3383
MdlNumber:
MFCD20922704
Smiles:
Oc1ccc(cc1)c1ssc(=S)c1
Complexity:
241
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC1=C(CC(=O)O)C2=Cc3[nH]c(c(c3CCC(=O)O)CC(=O)O)C=C3N=C(C=c4[nH]c(=CC1=N2)c(CC(=O)O)c4CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC1=C(CC(=O)O)C2=Cc3[nH]c(c(c3CCC(=O)O)CC(=O)O)C=C3N=C(C=c4[nH]c(=CC1=N2)c(CC(=O)O)c4CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__