AB50424
1094-61-7 | Beta-nicotinamide mononucleotide
Manufacturer: A2B Chem
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CatalogNumber
AB50424
ChemicalName
Beta-nicotinamide mononucleotide
CasNumber
1094-61-7
MolecularFormula
C11H15N2O8P
MolecularWeight
334.2192
MdlNumber
MFCD00038748
Smiles
O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(O)[O-]
Complexity
455
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
22
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
5
Xlogp3
-3.5
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CatalogNumber: AB50424
ChemicalName: Beta-nicotinamide mononucleotide
CasNumber: 1094-61-7
MolecularFormula: C11H15N2O8P
MolecularWeight: 334.2192
MdlNumber: MFCD00038748
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(O)[O-]
Complexity: 455
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 5
Xlogp3: -3.5
CatalogNumber:
AB50424
ChemicalName:
Beta-nicotinamide mononucleotide
CasNumber:
1094-61-7
MolecularFormula:
C11H15N2O8P
MolecularWeight:
334.2192
MdlNumber:
MFCD00038748
Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)N)COP(=O)(O)[O-]
Complexity:
455
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
5
Xlogp3:
-3.5
CatalogNumber: AB50425
ChemicalName: Tetrahydropyran-4-boronic acid, pinacol ester
CasNumber: 1131912-76-9
MolecularFormula: C11H21BO3
MolecularWeight: 212.0936
MdlNumber: MFCD00667560
Smiles: CC1(C)OB(OC1(C)C)C1CCOCC1
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB50425
ChemicalName:
Tetrahydropyran-4-boronic acid, pinacol ester
CasNumber:
1131912-76-9
MolecularFormula:
C11H21BO3
MolecularWeight:
212.0936
MdlNumber:
MFCD00667560
Smiles:
CC1(C)OB(OC1(C)C)C1CCOCC1
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB50426
ChemicalName: 5-Nitro-2-((3-phenylpropyl)amino)benzoic acid
CasNumber: 107254-86-4
MolecularFormula: C16H16N2O4
MolecularWeight: 300.3092
MdlNumber: MFCD00153851
Smiles: OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]
Complexity: 377
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 4.1
CatalogNumber:
AB50426
ChemicalName:
5-Nitro-2-((3-phenylpropyl)amino)benzoic acid
CasNumber:
107254-86-4
MolecularFormula:
C16H16N2O4
MolecularWeight:
300.3092
MdlNumber:
MFCD00153851
Smiles:
OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]
Complexity:
377
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
4.1
CatalogNumber: AB50427
ChemicalName: 1-bromo-4-cyclopropylbenzene
CasNumber: 1124-14-7
MolecularFormula: C9H9Br
MolecularWeight: 197.0718
MdlNumber: MFCD00101828
Smiles: Brc1ccc(cc1)C1CC1
Complexity: 110
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AB50427
ChemicalName:
1-bromo-4-cyclopropylbenzene
CasNumber:
1124-14-7
MolecularFormula:
C9H9Br
MolecularWeight:
197.0718
MdlNumber:
MFCD00101828
Smiles:
Brc1ccc(cc1)C1CC1
Complexity:
110
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.6