AB52363
361442-00-4 | (S)-N-Boc-3-hydroxyadamantylglycine
Manufacturer: A2B Chem
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CatalogNumber
AB52363
ChemicalName
(S)-N-Boc-3-hydroxyadamantylglycine
CasNumber
361442-00-4
MolecularFormula
C17H27NO5
MolecularWeight
325.4
MdlNumber
MFCD16660445
Smiles
O=C(OC(C)(C)C)N[C@@H](C12CC3CC(C1)CC(C2)(C3)O)C(=O)O
Complexity
510
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
2
Xlogp3
2
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CatalogNumber: AB52363
ChemicalName: (S)-N-Boc-3-hydroxyadamantylglycine
CasNumber: 361442-00-4
MolecularFormula: C17H27NO5
MolecularWeight: 325.4
MdlNumber: MFCD16660445
Smiles: O=C(OC(C)(C)C)N[C@@H](C12CC3CC(C1)CC(C2)(C3)O)C(=O)O
Complexity: 510
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 2
Xlogp3: 2
CatalogNumber:
AB52363
ChemicalName:
(S)-N-Boc-3-hydroxyadamantylglycine
CasNumber:
361442-00-4
MolecularFormula:
C17H27NO5
MolecularWeight:
325.4
MdlNumber:
MFCD16660445
Smiles:
O=C(OC(C)(C)C)N[C@@H](C12CC3CC(C1)CC(C2)(C3)O)C(=O)O
Complexity:
510
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C[Si]12O[Si]3(C=C)O[Si]4(O[Si](O2)(C=C)O[Si]2(O[Si](O1)(C=C)O[Si](O3)(C=C)O[Si](O4)(O2)C=C)C=C)C=C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C[Si]12O[Si]3(C=C)O[Si]4(O[Si](O2)(C=C)O[Si]2(O[Si](O1)(C=C)O[Si](O3)(C=C)O[Si](O4)(O2)C=C)C=C)C=C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c(C)ccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c(C)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB52366
ChemicalName: Methotrexate
CasNumber: 59-05-2
MolecularFormula: C20H22N8O5
MolecularWeight: 454.4393
MdlNumber: MFCD00150847
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
Complexity: 704
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 5
RotatableBondCount: 9
UndefinedAtomStereocenterCount: __
Xlogp3: -1.8
CatalogNumber:
AB52366
ChemicalName:
Methotrexate
CasNumber:
59-05-2
MolecularFormula:
C20H22N8O5
MolecularWeight:
454.4393
MdlNumber:
MFCD00150847
Smiles:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
Complexity:
704
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
5
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.8