AB53176
32140-49-1 | D-m-Tyrosine
Manufacturer: A2B Chem
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CatalogNumber
AB53176
ChemicalName
D-m-Tyrosine
CasNumber
32140-49-1
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD03788083
Smiles
OC(=O)[C@@H](Cc1cccc(c1)O)N
Complexity
184
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-2.4
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CatalogNumber: AB53176
ChemicalName: D-m-Tyrosine
CasNumber: 32140-49-1
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD03788083
Smiles: OC(=O)[C@@H](Cc1cccc(c1)O)N
Complexity: 184
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -2.4
CatalogNumber:
AB53176
ChemicalName:
D-m-Tyrosine
CasNumber:
32140-49-1
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD03788083
Smiles:
OC(=O)[C@@H](Cc1cccc(c1)O)N
Complexity:
184
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 219
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
219
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AB53178
ChemicalName: Tropolone
CasNumber: 533-75-5
MolecularFormula: C7H6O2
MolecularWeight: 122.1213
MdlNumber: MFCD00004158
Smiles: Oc1cccccc1=O
Complexity: 209
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AB53178
ChemicalName:
Tropolone
CasNumber:
533-75-5
MolecularFormula:
C7H6O2
MolecularWeight:
122.1213
MdlNumber:
MFCD00004158
Smiles:
Oc1cccccc1=O
Complexity:
209
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: AB53179
ChemicalName: (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
CasNumber: 518-28-5
MolecularFormula: C22H22O8
MolecularWeight: 414.4053
MdlNumber: MFCD00075290
Smiles: COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O
Complexity: 629
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AB53179
ChemicalName:
(10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
CasNumber:
518-28-5
MolecularFormula:
C22H22O8
MolecularWeight:
414.4053
MdlNumber:
MFCD00075290
Smiles:
COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O
Complexity:
629
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2