AI51791
52522-49-3 | 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose
Manufacturer: A2B Chem
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CatalogNumber
AI51791
ChemicalName
2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose
CasNumber
52522-49-3
MolecularFormula
C33H31NO8
MolecularWeight
569.6011399999999
MdlNumber
MFCD00038477
Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])OC1O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
Complexity
809
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
42
HydrogenBondAcceptorCount
8
RotatableBondCount
13
UndefinedAtomStereocenterCount
1
Xlogp3
5.6
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CatalogNumber: AI51791
ChemicalName: 2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose
CasNumber: 52522-49-3
MolecularFormula: C33H31NO8
MolecularWeight: 569.6011399999999
MdlNumber: MFCD00038477
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OC1O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
Complexity: 809
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 8
RotatableBondCount: 13
UndefinedAtomStereocenterCount: 1
Xlogp3: 5.6
CatalogNumber:
AI51791
ChemicalName:
2,3,5-Tri-O-benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose
CasNumber:
52522-49-3
MolecularFormula:
C33H31NO8
MolecularWeight:
569.6011399999999
MdlNumber:
MFCD00038477
Smiles:
O=C(c1ccc(cc1)[N+](=O)[O-])OC1O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
Complexity:
809
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
8
RotatableBondCount:
13
UndefinedAtomStereocenterCount:
1
Xlogp3:
5.6
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Smiles: [O-]c1cccnc1.[Na+]
Complexity: __
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Smiles:
[O-]c1cccnc1.[Na+]
Complexity:
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Covalently-bondedUnitCount:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Xlogp3:
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Smiles: COC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C
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Smiles:
COC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1ccc(cc1)C1=NC2(NC1=S)CCCCC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C1=NC2(NC1=S)CCCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__