AA48265
13292-22-3 | 3-Formyl rifamycin sv
Manufacturer: A2B Chem
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CatalogNumber
AA48265
ChemicalName
3-Formyl rifamycin sv
CasNumber
13292-22-3
MolecularFormula
C38H47NO13
MolecularWeight
725.7787
MdlNumber
MFCD01729454
Smiles
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(c(c2c(c3C)O)O)NC(=O)C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C
Complexity
1410
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
9
DefinedBondStereocenterCount
3
HeavyAtomCount
52
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
6
RotatableBondCount
4
Xlogp3
4.9
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CatalogNumber: AA48265
ChemicalName: 3-Formyl rifamycin sv
CasNumber: 13292-22-3
MolecularFormula: C38H47NO13
MolecularWeight: 725.7787
MdlNumber: MFCD01729454
Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(c(c2c(c3C)O)O)NC(=O)C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C
Complexity: 1410
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 9
DefinedBondStereocenterCount: 3
HeavyAtomCount: 52
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 6
RotatableBondCount: 4
Xlogp3: 4.9
CatalogNumber:
AA48265
ChemicalName:
3-Formyl rifamycin sv
CasNumber:
13292-22-3
MolecularFormula:
C38H47NO13
MolecularWeight:
725.7787
MdlNumber:
MFCD01729454
Smiles:
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(c(c2c(c3C)O)O)NC(=O)C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C
Complexity:
1410
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
9
DefinedBondStereocenterCount:
3
HeavyAtomCount:
52
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
6
RotatableBondCount:
4
Xlogp3:
4.9
CatalogNumber: AA48266
ChemicalName: 3-Bromophenanthrene-9,10-dione
CasNumber: 13292-05-2
MolecularFormula: C14H7BrO2
MolecularWeight: 287.1082
MdlNumber: MFCD18072876
Smiles: Brc1ccc2c(-c3ccccc3C(=O)C2=O)c1
Complexity: 352
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AA48266
ChemicalName:
3-Bromophenanthrene-9,10-dione
CasNumber:
13292-05-2
MolecularFormula:
C14H7BrO2
MolecularWeight:
287.1082
MdlNumber:
MFCD18072876
Smiles:
Brc1ccc2c(-c3ccccc3C(=O)C2=O)c1
Complexity:
352
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CCc1c(C)nc(nc1Cl)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CCc1c(C)nc(nc1Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ccc(cc1)c1cc2c(s1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc(cc1)c1cc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__