AB51032
51-48-9 | L-Thyroxine-[l-tyr-ring-13c6] hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB51032
ChemicalName
L-Thyroxine-[l-tyr-ring-13c6] hydrochloride
CasNumber
51-48-9
MolecularFormula
C15H11I4NO4
MolecularWeight
776.87
MdlNumber
MFCD00002595
Smiles
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
NscNumber
757434
Complexity
420
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AB51032
ChemicalName: L-Thyroxine-[l-tyr-ring-13c6] hydrochloride
CasNumber: 51-48-9
MolecularFormula: C15H11I4NO4
MolecularWeight: 776.87
MdlNumber: MFCD00002595
Smiles: OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
NscNumber: 757434
Complexity: 420
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AB51032
ChemicalName:
L-Thyroxine-[l-tyr-ring-13c6] hydrochloride
CasNumber:
51-48-9
MolecularFormula:
C15H11I4NO4
MolecularWeight:
776.87
MdlNumber:
MFCD00002595
Smiles:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
NscNumber:
757434
Complexity:
420
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cnc1OC)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cnc1OC)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc2c(n1)c1ncccc1cc2.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc2c(n1)c1ncccc1cc2.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51035
ChemicalName: Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CasNumber: 486460-00-8
MolecularFormula: C15H18F3NO4
MolecularWeight: 333.3029
MdlNumber: MFCD06659147
Smiles: OC(=O)C[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
NscNumber: __
Complexity: 427
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.7
CatalogNumber:
AB51035
ChemicalName:
Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CasNumber:
486460-00-8
MolecularFormula:
C15H18F3NO4
MolecularWeight:
333.3029
MdlNumber:
MFCD06659147
Smiles:
OC(=O)C[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
427
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.7