AB54899
3181-38-2 | 2',3',5'-Triacetylinosine
Manufacturer: A2B Chem
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CatalogNumber
AB54899
ChemicalName
2',3',5'-Triacetylinosine
CasNumber
3181-38-2
MolecularFormula
C16H18N4O8
MolecularWeight
394.3361199999998
MdlNumber
MFCD00038617
Smiles
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COC(=O)C
Complexity
698
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
28
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
-1
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CatalogNumber: AB54899
ChemicalName: 2',3',5'-Triacetylinosine
CasNumber: 3181-38-2
MolecularFormula: C16H18N4O8
MolecularWeight: 394.3361199999998
MdlNumber: MFCD00038617
Smiles: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COC(=O)C
Complexity: 698
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: -1
CatalogNumber:
AB54899
ChemicalName:
2',3',5'-Triacetylinosine
CasNumber:
3181-38-2
MolecularFormula:
C16H18N4O8
MolecularWeight:
394.3361199999998
MdlNumber:
MFCD00038617
Smiles:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COC(=O)C
Complexity:
698
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
-1
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Smiles: CO[C@]1(C)O[C@@H](CN=[N+]=[N-])[C@@H](O[C@@]1(C)OC)CN=[N+]=[N-]
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[C@]1(C)O[C@@H](CN=[N+]=[N-])[C@@H](O[C@@]1(C)OC)CN=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__