AE08038
10284-63-6 | D-Pinitol
Manufacturer: A2B Chem
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CatalogNumber
AE08038
ChemicalName
D-Pinitol
CasNumber
10284-63-6
MolecularFormula
C7H14O6
MolecularWeight
194.1825
MdlNumber
MFCD00216659
Smiles
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Complexity
158
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
5
RotatableBondCount
1
Xlogp3
-3.2
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CatalogNumber: AE08038
ChemicalName: D-Pinitol
CasNumber: 10284-63-6
MolecularFormula: C7H14O6
MolecularWeight: 194.1825
MdlNumber: MFCD00216659
Smiles: CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Complexity: 158
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 5
RotatableBondCount: 1
Xlogp3: -3.2
CatalogNumber:
AE08038
ChemicalName:
D-Pinitol
CasNumber:
10284-63-6
MolecularFormula:
C7H14O6
MolecularWeight:
194.1825
MdlNumber:
MFCD00216659
Smiles:
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Complexity:
158
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
5
RotatableBondCount:
1
Xlogp3:
-3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(O)[O-].[O-]P(=O)(O)[O-].[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[Na+].[Al+3].[Al+3].[Al+3].O.O.O.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-]P(=O)(O)[O-].[O-]P(=O)(O)[O-].[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[Na+].[Al+3].[Al+3].[Al+3].O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(O)[O-].[Na+].[Na+].O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]P(=O)(O)[O-].[Na+].[Na+].O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCCO
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCCO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__