AB49910
22150-76-1 | 6-Biopterin
Manufacturer: A2B Chem
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CatalogNumber
AB49910
ChemicalName
6-Biopterin
CasNumber
22150-76-1
MolecularFormula
C9H11N5O3
MolecularWeight
237.2153
MdlNumber
MFCD00036787
Smiles
C[C@@H]([C@@H](c1cnc2c(n1)c(O)nc(n2)N)O)O
Complexity
348
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
2
Xlogp3
-2.4
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CatalogNumber: AB49910
ChemicalName: 6-Biopterin
CasNumber: 22150-76-1
MolecularFormula: C9H11N5O3
MolecularWeight: 237.2153
MdlNumber: MFCD00036787
Smiles: C[C@@H]([C@@H](c1cnc2c(n1)c(O)nc(n2)N)O)O
Complexity: 348
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 2
Xlogp3: -2.4
CatalogNumber:
AB49910
ChemicalName:
6-Biopterin
CasNumber:
22150-76-1
MolecularFormula:
C9H11N5O3
MolecularWeight:
237.2153
MdlNumber:
MFCD00036787
Smiles:
C[C@@H]([C@@H](c1cnc2c(n1)c(O)nc(n2)N)O)O
Complexity:
348
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
2
Xlogp3:
-2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCNC(=O)NCCCl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCNC(=O)NCCCl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49912
ChemicalName: (R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
CasNumber: 221352-46-1
MolecularFormula: C14H17NO4
MolecularWeight: 263.2891
MdlNumber: MFCD01321007
Smiles: OC(=O)C1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Complexity: 374
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB49912
ChemicalName:
(R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
CasNumber:
221352-46-1
MolecularFormula:
C14H17NO4
MolecularWeight:
263.2891
MdlNumber:
MFCD01321007
Smiles:
OC(=O)C1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Complexity:
374
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C1C=CC=C1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C1C=CC=C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__