AB52211
3736-77-4 | 2,2'-Anhydro-1(B-D-arabinofuranosyl)uracil
Manufacturer: A2B Chem
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CatalogNumber
AB52211
ChemicalName
2,2'-Anhydro-1(B-D-arabinofuranosyl)uracil
CasNumber
3736-77-4
MolecularFormula
C9H10N2O5
MolecularWeight
226.1861
MdlNumber
MFCD00004945
Smiles
OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1
Complexity
393
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-2.5
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CatalogNumber: AB52211
ChemicalName: 2,2'-Anhydro-1(B-D-arabinofuranosyl)uracil
CasNumber: 3736-77-4
MolecularFormula: C9H10N2O5
MolecularWeight: 226.1861
MdlNumber: MFCD00004945
Smiles: OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1
Complexity: 393
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -2.5
CatalogNumber:
AB52211
ChemicalName:
2,2'-Anhydro-1(B-D-arabinofuranosyl)uracil
CasNumber:
3736-77-4
MolecularFormula:
C9H10N2O5
MolecularWeight:
226.1861
MdlNumber:
MFCD00004945
Smiles:
OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=O)n1
Complexity:
393
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCc1c[nH]c2c1cccc2CC
Complexity: 183
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCc1c[nH]c2c1cccc2CC
Complexity:
183
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccnc1Nc1cccc(c1C)Cl.NCCCC[C@@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccnc1Nc1cccc(c1C)Cl.NCCCC[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52214
ChemicalName: Cefmenoxime hydrochloride
CasNumber: 75738-58-8
MolecularFormula: C16H18ClN9O5S3
MolecularWeight: 548.0194200000001
MdlNumber: MFCD01750403
Smiles: CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)c1csc(n1)N.Cl
Complexity: 890
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 67
HydrogenBondAcceptorCount: 28
HydrogenBondDonorCount: 7
RotatableBondCount: 16
Xlogp3: __
CatalogNumber:
AB52214
ChemicalName:
Cefmenoxime hydrochloride
CasNumber:
75738-58-8
MolecularFormula:
C16H18ClN9O5S3
MolecularWeight:
548.0194200000001
MdlNumber:
MFCD01750403
Smiles:
CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)c1csc(n1)N.Cl
Complexity:
890
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
67
HydrogenBondAcceptorCount:
28
HydrogenBondDonorCount:
7
RotatableBondCount:
16
Xlogp3:
__