AB52078
54895-12-4 | Boc-DL-Val-OH
Manufacturer: A2B Chem
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CatalogNumber
AB52078
ChemicalName
Boc-DL-Val-OH
CasNumber
54895-12-4
MolecularFormula
C10H19NO4
MolecularWeight
217.2622
MdlNumber
MFCD00069973
Smiles
O=C(OC(C)(C)C)NC(C(=O)O)C(C)C
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB52078
ChemicalName: Boc-DL-Val-OH
CasNumber: 54895-12-4
MolecularFormula: C10H19NO4
MolecularWeight: 217.2622
MdlNumber: MFCD00069973
Smiles: O=C(OC(C)(C)C)NC(C(=O)O)C(C)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB52078
ChemicalName:
Boc-DL-Val-OH
CasNumber:
54895-12-4
MolecularFormula:
C10H19NO4
MolecularWeight:
217.2622
MdlNumber:
MFCD00069973
Smiles:
O=C(OC(C)(C)C)NC(C(=O)O)C(C)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1N)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1N)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc2c(c1)c1ccccc1c1c2cccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc2c(c1)c1ccccc1c1c2cccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB52081
ChemicalName: Docetaxel
CasNumber: 114977-28-5
MolecularFormula: C43H53NO14
MolecularWeight: 807.8792
MdlNumber: MFCD00871399
Smiles: CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Complexity: 1660
Covalently-bondedUnitCount: 1
HeavyAtomCount: 58
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 5
RotatableBondCount: 13
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AB52081
ChemicalName:
Docetaxel
CasNumber:
114977-28-5
MolecularFormula:
C43H53NO14
MolecularWeight:
807.8792
MdlNumber:
MFCD00871399
Smiles:
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Complexity:
1660
Covalently-bondedUnitCount:
1
HeavyAtomCount:
58
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
5
RotatableBondCount:
13
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6