AE13206
121080-96-4 | D-Homocitrulline
Manufacturer: A2B Chem
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CatalogNumber
AE13206
ChemicalName
D-Homocitrulline
CasNumber
121080-96-4
MolecularFormula
C7H15N3O3
MolecularWeight
189.2123
MdlNumber
MFCD00237406
Smiles
NC(=O)NCCCC[C@H](C(=O)O)N
Complexity
184
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
4
RotatableBondCount
6
Xlogp3
-3.9
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CatalogNumber: AE13206
ChemicalName: D-Homocitrulline
CasNumber: 121080-96-4
MolecularFormula: C7H15N3O3
MolecularWeight: 189.2123
MdlNumber: MFCD00237406
Smiles: NC(=O)NCCCC[C@H](C(=O)O)N
Complexity: 184
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 6
Xlogp3: -3.9
CatalogNumber:
AE13206
ChemicalName:
D-Homocitrulline
CasNumber:
121080-96-4
MolecularFormula:
C7H15N3O3
MolecularWeight:
189.2123
MdlNumber:
MFCD00237406
Smiles:
NC(=O)NCCCC[C@H](C(=O)O)N
Complexity:
184
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
6
Xlogp3:
-3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCOP(N(C(C)C)C(C)C)OCCS(=O)(=O)CCOC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCOP(N(C(C)C)C(C)C)OCCS(=O)(=O)CCOC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)C(C(F)(F)F)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)C(C(F)(F)F)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__