AB71478
69355-99-3 | Boc-d-thr(bzl)-oh
Manufacturer: A2B Chem
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CatalogNumber
AB71478
ChemicalName
Boc-d-thr(bzl)-oh
CasNumber
69355-99-3
MolecularFormula
C16H23NO5
MolecularWeight
309.3575
MdlNumber
MFCD00038247
Smiles
C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)OCc1ccccc1
Complexity
371
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
2.3
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CatalogNumber: AB71478
ChemicalName: Boc-d-thr(bzl)-oh
CasNumber: 69355-99-3
MolecularFormula: C16H23NO5
MolecularWeight: 309.3575
MdlNumber: MFCD00038247
Smiles: C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 371
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 2.3
CatalogNumber:
AB71478
ChemicalName:
Boc-d-thr(bzl)-oh
CasNumber:
69355-99-3
MolecularFormula:
C16H23NO5
MolecularWeight:
309.3575
MdlNumber:
MFCD00038247
Smiles:
C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
371
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 308
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
308
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AB71480
ChemicalName: Boc-gln-onp
CasNumber: 15387-45-8
MolecularFormula: C16H21N3O7
MolecularWeight: 367.3538
MdlNumber: MFCD00065572
Smiles: O=C([C@@H](NC(=O)OC(C)(C)C)CCC(=O)N)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: 531
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 1.5
CatalogNumber:
AB71480
ChemicalName:
Boc-gln-onp
CasNumber:
15387-45-8
MolecularFormula:
C16H21N3O7
MolecularWeight:
367.3538
MdlNumber:
MFCD00065572
Smiles:
O=C([C@@H](NC(=O)OC(C)(C)C)CCC(=O)N)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
531
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C([C@@H](NC(=O)OC(C)(C)C)CCC(=O)O)Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C([C@@H](NC(=O)OC(C)(C)C)CCC(=O)O)Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__