AB52983
4163-65-9 | 1,2,3,4,6-Penta-O-acetyl-alpha-D-mannopyranose
Manufacturer: A2B Chem
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CatalogNumber
AB52983
ChemicalName
1,2,3,4,6-Penta-O-acetyl-alpha-D-mannopyranose
CasNumber
4163-65-9
MolecularFormula
C16H22O11
MolecularWeight
390.3393
MdlNumber
MFCD00069798
Smiles
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity
599
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
27
HydrogenBondAcceptorCount
11
RotatableBondCount
11
Xlogp3
0.6
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CatalogNumber: AB52983
ChemicalName: 1,2,3,4,6-Penta-O-acetyl-alpha-D-mannopyranose
CasNumber: 4163-65-9
MolecularFormula: C16H22O11
MolecularWeight: 390.3393
MdlNumber: MFCD00069798
Smiles: CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: 599
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 11
RotatableBondCount: 11
Xlogp3: 0.6
CatalogNumber:
AB52983
ChemicalName:
1,2,3,4,6-Penta-O-acetyl-alpha-D-mannopyranose
CasNumber:
4163-65-9
MolecularFormula:
C16H22O11
MolecularWeight:
390.3393
MdlNumber:
MFCD00069798
Smiles:
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
599
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
11
RotatableBondCount:
11
Xlogp3:
0.6
CatalogNumber: AB52984
ChemicalName: 5-Hydroxymethyl-1-methyl-1h-pyridin-2-one
CasNumber: 27330-18-3
MolecularFormula: C7H9NO2
MolecularWeight: 139.1519
MdlNumber: MFCD17015927
Smiles: OCc1ccc(=O)n(c1)C
Complexity: 206
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: -0.9
CatalogNumber:
AB52984
ChemicalName:
5-Hydroxymethyl-1-methyl-1h-pyridin-2-one
CasNumber:
27330-18-3
MolecularFormula:
C7H9NO2
MolecularWeight:
139.1519
MdlNumber:
MFCD17015927
Smiles:
OCc1ccc(=O)n(c1)C
Complexity:
206
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.9
CatalogNumber: AB52985
ChemicalName: 1-Amino-3-morpholin-4-yl-propan-2-ol
CasNumber: 39849-45-1
MolecularFormula: C7H16N2O2
MolecularWeight: 160.2141
MdlNumber: MFCD00462792
Smiles: NCC(CN1CCOCC1)O
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: -1.7
CatalogNumber:
AB52985
ChemicalName:
1-Amino-3-morpholin-4-yl-propan-2-ol
CasNumber:
39849-45-1
MolecularFormula:
C7H16N2O2
MolecularWeight:
160.2141
MdlNumber:
MFCD00462792
Smiles:
NCC(CN1CCOCC1)O
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
-1.7
CatalogNumber: AB52986
ChemicalName: 3',4'-Difluoroacetanilide
CasNumber: 458-11-7
MolecularFormula: C8H7F2NO
MolecularWeight: 171.1441
MdlNumber: MFCD00017903
Smiles: CC(=O)Nc1ccc(c(c1)F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52986
ChemicalName:
3',4'-Difluoroacetanilide
CasNumber:
458-11-7
MolecularFormula:
C8H7F2NO
MolecularWeight:
171.1441
MdlNumber:
MFCD00017903
Smiles:
CC(=O)Nc1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__