AB34946
2873-29-2 | Tri-O-acetyl-D-Glucal
Manufacturer: A2B Chem
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CatalogNumber
AB34946
ChemicalName
Tri-O-acetyl-D-Glucal
CasNumber
2873-29-2
MolecularFormula
C12H16O7
MolecularWeight
272.2512
MdlNumber
MFCD00063253
Smiles
CC(=O)OC[C@H]1OC=C[C@H]([C@@H]1OC(=O)C)OC(=O)C
Complexity
388
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
7
Xlogp3
0.2
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CatalogNumber: AB34946
ChemicalName: Tri-O-acetyl-D-Glucal
CasNumber: 2873-29-2
MolecularFormula: C12H16O7
MolecularWeight: 272.2512
MdlNumber: MFCD00063253
Smiles: CC(=O)OC[C@H]1OC=C[C@H]([C@@H]1OC(=O)C)OC(=O)C
Complexity: 388
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 7
Xlogp3: 0.2
CatalogNumber:
AB34946
ChemicalName:
Tri-O-acetyl-D-Glucal
CasNumber:
2873-29-2
MolecularFormula:
C12H16O7
MolecularWeight:
272.2512
MdlNumber:
MFCD00063253
Smiles:
CC(=O)OC[C@H]1OC=C[C@H]([C@@H]1OC(=O)C)OC(=O)C
Complexity:
388
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
7
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(s1)Br
Complexity: 68.7
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(s1)Br
Complexity:
68.7
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1nncc(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1nncc(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__