AH18901
72209-19-9 | 2-Chloroadenosine-5'-carboxy-2',3'-acetonide
Manufacturer: A2B Chem
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CatalogNumber
AH18901
ChemicalName
2-Chloroadenosine-5'-carboxy-2',3'-acetonide
CasNumber
72209-19-9
MolecularFormula
C13H14ClN5O5
MolecularWeight
355.7338
MdlNumber
MFCD19105554
Smiles
OC(=O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1nc(Cl)nc2N
Complexity
539
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
24
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AH18901
ChemicalName: 2-Chloroadenosine-5'-carboxy-2',3'-acetonide
CasNumber: 72209-19-9
MolecularFormula: C13H14ClN5O5
MolecularWeight: 355.7338
MdlNumber: MFCD19105554
Smiles: OC(=O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1nc(Cl)nc2N
Complexity: 539
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AH18901
ChemicalName:
2-Chloroadenosine-5'-carboxy-2',3'-acetonide
CasNumber:
72209-19-9
MolecularFormula:
C13H14ClN5O5
MolecularWeight:
355.7338
MdlNumber:
MFCD19105554
Smiles:
OC(=O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1nc(Cl)nc2N
Complexity:
539
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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Smiles: CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)COCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)COCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC(=O)C)[C@H]([C@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC(=O)C)[C@H]([C@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__