AB54712
2964-48-9 | (1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AB54712
ChemicalName
(1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CasNumber
2964-48-9
MolecularFormula
C9H12N2O4
MolecularWeight
212.20258
MdlNumber
MFCD00007359
Smiles
OC[C@@H]([C@H](c1ccc(cc1)N(=O)=O)O)N
NscNumber
12466
Complexity
211
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-0.7
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CatalogNumber: AB54712
ChemicalName: (1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CasNumber: 2964-48-9
MolecularFormula: C9H12N2O4
MolecularWeight: 212.20258
MdlNumber: MFCD00007359
Smiles: OC[C@@H]([C@H](c1ccc(cc1)N(=O)=O)O)N
NscNumber: 12466
Complexity: 211
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -0.7
CatalogNumber:
AB54712
ChemicalName:
(1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CasNumber:
2964-48-9
MolecularFormula:
C9H12N2O4
MolecularWeight:
212.20258
MdlNumber:
MFCD00007359
Smiles:
OC[C@@H]([C@H](c1ccc(cc1)N(=O)=O)O)N
NscNumber:
12466
Complexity:
211
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC
NscNumber: __
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CNC(C1=CC=CC=C1)C(C2=CC=CC=C2)NC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cc1cc(C)c(c(c1)C)C(=O)/C(=C(C)/[O-])/C=N/[C@H]([C@H](c1ccccc1)/N=C/C(=C(/C)[O-])/C(=O)c1c(C)cc(cc1C)C)c1ccccc1.[Co+2]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1cc(C)c(c(c1)C)C(=O)/C(=C(C)/[O-])/C=N/[C@H]([C@H](c1ccccc1)/N=C/C(=C(/C)[O-])/C(=O)c1c(C)cc(cc1C)C)c1ccccc1.[Co+2]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN[C@H]1CCCC[C@@H]1NC
NscNumber: __
Complexity: 81.3
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN[C@H]1CCCC[C@@H]1NC
NscNumber:
__
Complexity:
81.3
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7