AA65411
147127-19-3 | (S)-(((1-(6-Amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid
Manufacturer: A2B Chem
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CatalogNumber
AA65411
ChemicalName
(S)-(((1-(6-Amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid
CasNumber
147127-19-3
MolecularFormula
C9H14N5O4P
MolecularWeight
287.2123
MdlNumber
MFCD21604708
Smiles
C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
Complexity
354
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
-1.6
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CatalogNumber: AA65411
ChemicalName: (S)-(((1-(6-Amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid
CasNumber: 147127-19-3
MolecularFormula: C9H14N5O4P
MolecularWeight: 287.2123
MdlNumber: MFCD21604708
Smiles: C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
Complexity: 354
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: -1.6
CatalogNumber:
AA65411
ChemicalName:
(S)-(((1-(6-Amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid
CasNumber:
147127-19-3
MolecularFormula:
C9H14N5O4P
MolecularWeight:
287.2123
MdlNumber:
MFCD21604708
Smiles:
C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
Complexity:
354
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
-1.6
CatalogNumber: AA65412
ChemicalName: (2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolane-2-carboxylate
CasNumber: 147126-75-8
MolecularFormula: C18H26FN3O4S
MolecularWeight: 399.4801
MdlNumber: MFCD22374171
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1SC[C@@H](O1)n1cc(F)c(nc1=O)N)C(C)C
Complexity: 669
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AA65412
ChemicalName:
(2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolane-2-carboxylate
CasNumber:
147126-75-8
MolecularFormula:
C18H26FN3O4S
MolecularWeight:
399.4801
MdlNumber:
MFCD22374171
Smiles:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1SC[C@@H](O1)n1cc(F)c(nc1=O)N)C(C)C
Complexity:
669
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC(C(C1)OC(=O)C1SCC(O1)n1ccc(nc1=O)N)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(C(C1)OC(=O)C1SCC(O1)n1ccc(nc1=O)N)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@H](O1)OC(=O)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@H](O1)OC(=O)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__