AB45830
147-94-4 | 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB45830
ChemicalName
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
CasNumber
147-94-4
MolecularFormula
C9H13N3O5
MolecularWeight
243.2166
MdlNumber
MFCD00066487
Smiles
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N
Complexity
383
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
2
Xlogp3
-2.1
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CatalogNumber: AB45830
ChemicalName: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
CasNumber: 147-94-4
MolecularFormula: C9H13N3O5
MolecularWeight: 243.2166
MdlNumber: MFCD00066487
Smiles: OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N
Complexity: 383
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 2
Xlogp3: -2.1
CatalogNumber:
AB45830
ChemicalName:
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
CasNumber:
147-94-4
MolecularFormula:
C9H13N3O5
MolecularWeight:
243.2166
MdlNumber:
MFCD00066487
Smiles:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N
Complexity:
383
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
2
Xlogp3:
-2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H](CC(C)C)N.Cl
Complexity: 112
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H](CC(C)C)N.Cl
Complexity:
112
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45832
ChemicalName: D-(-)-Pantolactone
CasNumber: 599-04-2
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00005392
Smiles: O[C@H]1C(=O)OCC1(C)C
Complexity: 139
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AB45832
ChemicalName:
D-(-)-Pantolactone
CasNumber:
599-04-2
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00005392
Smiles:
O[C@H]1C(=O)OCC1(C)C
Complexity:
139
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: AB45833
ChemicalName: (-)-Diethyl D-tartrate
CasNumber: 13811-71-7
MolecularFormula: C8H14O6
MolecularWeight: 206.1932
MdlNumber: MFCD00064451
Smiles: CCOC(=O)[C@H]([C@@H](C(=O)OCC)O)O
Complexity: 180
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: -0.3
CatalogNumber:
AB45833
ChemicalName:
(-)-Diethyl D-tartrate
CasNumber:
13811-71-7
MolecularFormula:
C8H14O6
MolecularWeight:
206.1932
MdlNumber:
MFCD00064451
Smiles:
CCOC(=O)[C@H]([C@@H](C(=O)OCC)O)O
Complexity:
180
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
-0.3