AB51703
13292-46-1 | 8-(n-(4-methyl-1-piperazinyl)formidoyl)-rifomycins
Manufacturer: A2B Chem
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CatalogNumber
AB51703
ChemicalName
8-(n-(4-methyl-1-piperazinyl)formidoyl)-rifomycins
CasNumber
13292-46-1
MolecularFormula
C43H58N4O12
MolecularWeight
822.9402
MdlNumber
MFCD00151389
Smiles
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCN(CC4)C)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
NscNumber
113926
Complexity
1620
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
9
DefinedBondStereocenterCount
4
HeavyAtomCount
59
HydrogenBondAcceptorCount
15
HydrogenBondDonorCount
6
RotatableBondCount
5
Xlogp3
4.9
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CatalogNumber: AB51703
ChemicalName: 8-(n-(4-methyl-1-piperazinyl)formidoyl)-rifomycins
CasNumber: 13292-46-1
MolecularFormula: C43H58N4O12
MolecularWeight: 822.9402
MdlNumber: MFCD00151389
Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCN(CC4)C)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
NscNumber: 113926
Complexity: 1620
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 9
DefinedBondStereocenterCount: 4
HeavyAtomCount: 59
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 6
RotatableBondCount: 5
Xlogp3: 4.9
CatalogNumber:
AB51703
ChemicalName:
8-(n-(4-methyl-1-piperazinyl)formidoyl)-rifomycins
CasNumber:
13292-46-1
MolecularFormula:
C43H58N4O12
MolecularWeight:
822.9402
MdlNumber:
MFCD00151389
Smiles:
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCN(CC4)C)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
NscNumber:
113926
Complexity:
1620
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
9
DefinedBondStereocenterCount:
4
HeavyAtomCount:
59
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
6
RotatableBondCount:
5
Xlogp3:
4.9
CatalogNumber: AB51704
ChemicalName: Tris(hydroxymethyl)aminomethane
CasNumber: 77-86-1
MolecularFormula: C4H11NO3
MolecularWeight: 121.135
MdlNumber: MFCD00004679
Smiles: OCC(CO)(CO)N
NscNumber: __
Complexity: 54
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 3
Xlogp3: -2.9
CatalogNumber:
AB51704
ChemicalName:
Tris(hydroxymethyl)aminomethane
CasNumber:
77-86-1
MolecularFormula:
C4H11NO3
MolecularWeight:
121.135
MdlNumber:
MFCD00004679
Smiles:
OCC(CO)(CO)N
NscNumber:
__
Complexity:
54
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
3
Xlogp3:
-2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CN(CC(O)C)CC(O)C)O
NscNumber: __
Complexity: 108
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CN(CC(O)C)CC(O)C)O
NscNumber:
__
Complexity:
108
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.5
CatalogNumber: AB51706
ChemicalName: Sodium 3-ethoxy-3-oxoprop-1-en-1-olate
CasNumber: 58986-28-0
MolecularFormula: C5H7NaO3
MolecularWeight: 138.097
MdlNumber: MFCD00234954
Smiles: [O-]C=CC(=O)OCC.[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB51706
ChemicalName:
Sodium 3-ethoxy-3-oxoprop-1-en-1-olate
CasNumber:
58986-28-0
MolecularFormula:
C5H7NaO3
MolecularWeight:
138.097
MdlNumber:
MFCD00234954
Smiles:
[O-]C=CC(=O)OCC.[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__