AB50924
611-53-0 | 4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
Manufacturer: A2B Chem
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CatalogNumber
AB50924
ChemicalName
4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
CasNumber
611-53-0
MolecularFormula
C9H12IN3O4
MolecularWeight
353.1137
MdlNumber
MFCD00038063
Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(nc1=O)N
Complexity
398
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.7
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CatalogNumber: AB50924
ChemicalName: 4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
CasNumber: 611-53-0
MolecularFormula: C9H12IN3O4
MolecularWeight: 353.1137
MdlNumber: MFCD00038063
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(nc1=O)N
Complexity: 398
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.7
CatalogNumber:
AB50924
ChemicalName:
4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one
CasNumber:
611-53-0
MolecularFormula:
C9H12IN3O4
MolecularWeight:
353.1137
MdlNumber:
MFCD00038063
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(nc1=O)N
Complexity:
398
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CC(=C1C(=O)CC(CC1=O)(C)C)NCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CC(=C1C(=O)CC(CC1=O)(C)C)NCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50926
ChemicalName: 3-Hydroxycyclohexane-1-carboxylic acid
CasNumber: 606488-94-2
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD19228828
Smiles: OC1CCCC(C1)C(=O)O
Complexity: 133
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AB50926
ChemicalName:
3-Hydroxycyclohexane-1-carboxylic acid
CasNumber:
606488-94-2
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD19228828
Smiles:
OC1CCCC(C1)C(=O)O
Complexity:
133
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=N)c1cccc(c1)Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=N)c1cccc(c1)Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__