AA69771
142217-69-4 | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one
Manufacturer: A2B Chem
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CatalogNumber
AA69771
ChemicalName
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one
CasNumber
142217-69-4
MolecularFormula
C12H15N5O3
MolecularWeight
277.2792
MdlNumber
MFCD24624045
Smiles
OC[C@@H]1[C@@H](O)C[C@@H](C1=C)n1cnc2c1nc(N)[nH]c2=O
Complexity
480
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
2
Xlogp3
-1.3
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CatalogNumber: AA69771
ChemicalName: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one
CasNumber: 142217-69-4
MolecularFormula: C12H15N5O3
MolecularWeight: 277.2792
MdlNumber: MFCD24624045
Smiles: OC[C@@H]1[C@@H](O)C[C@@H](C1=C)n1cnc2c1nc(N)[nH]c2=O
Complexity: 480
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 2
Xlogp3: -1.3
CatalogNumber:
AA69771
ChemicalName:
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one
CasNumber:
142217-69-4
MolecularFormula:
C12H15N5O3
MolecularWeight:
277.2792
MdlNumber:
MFCD24624045
Smiles:
OC[C@@H]1[C@@H](O)C[C@@H](C1=C)n1cnc2c1nc(N)[nH]c2=O
Complexity:
480
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
2
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(COc1cscc1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(COc1cscc1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.[Rh+3]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.[O-]C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.[Rh+3]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA69779
ChemicalName: Protionamide
CasNumber: 14222-60-7
MolecularFormula: C9H12N2S
MolecularWeight: 180.27
MdlNumber: MFCD00464119
Smiles: CCCc1cc(ccn1)C(=S)N
Complexity: 159
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AA69779
ChemicalName:
Protionamide
CasNumber:
14222-60-7
MolecularFormula:
C9H12N2S
MolecularWeight:
180.27
MdlNumber:
MFCD00464119
Smiles:
CCCc1cc(ccn1)C(=S)N
Complexity:
159
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5