AB20306
21082-33-7 | Sakakin
Manufacturer: A2B Chem
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CatalogNumber
AB20306
ChemicalName
Sakakin
CasNumber
21082-33-7
MolecularFormula
C13H18O7
MolecularWeight
286.2778
MdlNumber
MFCD06794970
Smiles
OC[C@H]1O[C@@H](Oc2cc(C)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity
313
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AB20306
ChemicalName: Sakakin
CasNumber: 21082-33-7
MolecularFormula: C13H18O7
MolecularWeight: 286.2778
MdlNumber: MFCD06794970
Smiles: OC[C@H]1O[C@@H](Oc2cc(C)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AB20306
ChemicalName:
Sakakin
CasNumber:
21082-33-7
MolecularFormula:
C13H18O7
MolecularWeight:
286.2778
MdlNumber:
MFCD06794970
Smiles:
OC[C@H]1O[C@@H](Oc2cc(C)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: AB20310
ChemicalName: 1-Chloro-2-(methylsulfonyl)-4-nitrobenzene
CasNumber: 21081-74-3
MolecularFormula: C7H6ClNO4S
MolecularWeight: 235.6448
MdlNumber: MFCD00805251
Smiles: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity: 318
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AB20310
ChemicalName:
1-Chloro-2-(methylsulfonyl)-4-nitrobenzene
CasNumber:
21081-74-3
MolecularFormula:
C7H6ClNO4S
MolecularWeight:
235.6448
MdlNumber:
MFCD00805251
Smiles:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity:
318
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1)CN1C(=O)c2c(C1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc(c1)CN1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(c1cscc1)C(=O)O
Complexity: 190
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(c1cscc1)C(=O)O
Complexity:
190
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9