AV18320
143491-58-1 | ((2S,5R)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate
Manufacturer: A2B Chem
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CatalogNumber
AV18320
ChemicalName
((2S,5R)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate
CasNumber
143491-58-1
MolecularFormula
C12H16FN3O4S
MolecularWeight
317.3365
MdlNumber
MFCD30185763
Smiles
CCCC(=O)OC[C@@H]1SC[C@@H](O1)n1cc(F)c(=N)[nH]c1=O
Complexity
497
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
0.5
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CatalogNumber: AV18320
ChemicalName: ((2S,5R)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate
CasNumber: 143491-58-1
MolecularFormula: C12H16FN3O4S
MolecularWeight: 317.3365
MdlNumber: MFCD30185763
Smiles: CCCC(=O)OC[C@@H]1SC[C@@H](O1)n1cc(F)c(=N)[nH]c1=O
Complexity: 497
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.5
CatalogNumber:
AV18320
ChemicalName:
((2S,5R)-5-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl butyrate
CasNumber:
143491-58-1
MolecularFormula:
C12H16FN3O4S
MolecularWeight:
317.3365
MdlNumber:
MFCD30185763
Smiles:
CCCC(=O)OC[C@@H]1SC[C@@H](O1)n1cc(F)c(=N)[nH]c1=O
Complexity:
497
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccccc1C1CCNCC1)O.Cl
Complexity: 189
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccccc1C1CCNCC1)O.Cl
Complexity:
189
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc2c(c1)[nH]c(=O)[nH]c2=O
Complexity: 258
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc2c(c1)[nH]c(=O)[nH]c2=O
Complexity:
258
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1B(O)O)S(=O)(=O)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1B(O)O)S(=O)(=O)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__