AB23705
2353-33-5 | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB23705
ChemicalName
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
CasNumber
2353-33-5
MolecularFormula
C8H12N4O4
MolecularWeight
228.2053
MdlNumber
MFCD00043011
Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N
Complexity
356
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-1.2
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CatalogNumber: AB23705
ChemicalName: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
CasNumber: 2353-33-5
MolecularFormula: C8H12N4O4
MolecularWeight: 228.2053
MdlNumber: MFCD00043011
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N
Complexity: 356
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.2
CatalogNumber:
AB23705
ChemicalName:
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
CasNumber:
2353-33-5
MolecularFormula:
C8H12N4O4
MolecularWeight:
228.2053
MdlNumber:
MFCD00043011
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N
Complexity:
356
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.2
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)C1CCCC(=N1)C(=O)O
Complexity: __
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Smiles:
OC(=O)C1CCCC(=N1)C(=O)O
Complexity:
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HeavyAtomCount:
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Smiles: CN(Cc1cc(CN(C)C)cc(c1)CN(C)C)C
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Smiles:
CN(Cc1cc(CN(C)C)cc(c1)CN(C)C)C
Complexity:
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DefinedAtomStereocenterCount:
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RotatableBondCount:
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Smiles: NCCN(Cc1ccccc1)CCN
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCCN(Cc1ccccc1)CCN
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__