AB50520
13734-40-2 | Boc-thr(tbu)-oh
Manufacturer: A2B Chem
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CatalogNumber
AB50520
ChemicalName
Boc-thr(tbu)-oh
CasNumber
13734-40-2
MolecularFormula
C13H25NO5
MolecularWeight
275.3413
MdlNumber
MFCD00151115
Smiles
O=C(OC(C)(C)C)N[C@@H]([C@H](OC(C)(C)C)C)C(=O)O
Complexity
327
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
1.8
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CatalogNumber: AB50520
ChemicalName: Boc-thr(tbu)-oh
CasNumber: 13734-40-2
MolecularFormula: C13H25NO5
MolecularWeight: 275.3413
MdlNumber: MFCD00151115
Smiles: O=C(OC(C)(C)C)N[C@@H]([C@H](OC(C)(C)C)C)C(=O)O
Complexity: 327
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AB50520
ChemicalName:
Boc-thr(tbu)-oh
CasNumber:
13734-40-2
MolecularFormula:
C13H25NO5
MolecularWeight:
275.3413
MdlNumber:
MFCD00151115
Smiles:
O=C(OC(C)(C)C)N[C@@H]([C@H](OC(C)(C)C)C)C(=O)O
Complexity:
327
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(N(C(=O)OC(C)(C)C)C)C(=O)O
Complexity: 232
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(N(C(=O)OC(C)(C)C)C)C(=O)O
Complexity:
232
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB50522
ChemicalName: Methyl L-3-phenyllactate
CasNumber: 13673-95-5
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD00038224
Smiles: COC(=O)[C@H](Cc1ccccc1)O
Complexity: 162
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB50522
ChemicalName:
Methyl L-3-phenyllactate
CasNumber:
13673-95-5
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD00038224
Smiles:
COC(=O)[C@H](Cc1ccccc1)O
Complexity:
162
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O
Complexity: 372
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O
Complexity:
372
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3