AI13511
121032-29-9 | (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Manufacturer: A2B Chem
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CatalogNumber
AI13511
ChemicalName
(2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CasNumber
121032-29-9
MolecularFormula
C11H15N5O5
MolecularWeight
297.2673
MdlNumber
MFCD00871078
Smiles
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(N)nc2OC
NscNumber
755985
Complexity
377
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
21
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
3
Xlogp3
-0.7
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CatalogNumber: AI13511
ChemicalName: (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CasNumber: 121032-29-9
MolecularFormula: C11H15N5O5
MolecularWeight: 297.2673
MdlNumber: MFCD00871078
Smiles: OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(N)nc2OC
NscNumber: 755985
Complexity: 377
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 3
Xlogp3: -0.7
CatalogNumber:
AI13511
ChemicalName:
(2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CasNumber:
121032-29-9
MolecularFormula:
C11H15N5O5
MolecularWeight:
297.2673
MdlNumber:
MFCD00871078
Smiles:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(N)nc2OC
NscNumber:
755985
Complexity:
377
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
3
Xlogp3:
-0.7
CatalogNumber: __
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Smiles: CCOC(=O)[C@@H]1CC[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)O
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CCOC(=O)[C@@H]1CC[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)O
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RotatableBondCount:
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Smiles: CCOC(=O)[C@@H]1CC[C@H]([C@H](C1)NC(=O)OC(C)(C)C)N
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Smiles:
CCOC(=O)[C@@H]1CC[C@H]([C@H](C1)NC(=O)OC(C)(C)C)N
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Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1ccc(c(c1)C(F)(F)F)Nc1scc(n1)c1ccccc1O.Br
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__
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CasNumber:
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MolecularFormula:
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__
MdlNumber:
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Smiles:
Brc1ccc(c(c1)C(F)(F)F)Nc1scc(n1)c1ccccc1O.Br
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__