AI55289
70753-61-6 | L-Threonic acid calcium salt
Manufacturer: A2B Chem
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CatalogNumber
AI55289
ChemicalName
L-Threonic acid calcium salt
CasNumber
70753-61-6
MolecularFormula
C8H14CaO10
MolecularWeight
310.2688
MdlNumber
MFCD23701631
Smiles
OC[C@@H]([C@H](C(=O)[O-])O)O.OC[C@@H]([C@H](C(=O)[O-])O)O.[Ca+2]
Complexity
95.6
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
HeavyAtomCount
19
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
6
RotatableBondCount
4
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CatalogNumber: AI55289
ChemicalName: L-Threonic acid calcium salt
CasNumber: 70753-61-6
MolecularFormula: C8H14CaO10
MolecularWeight: 310.2688
MdlNumber: MFCD23701631
Smiles: OC[C@@H]([C@H](C(=O)[O-])O)O.OC[C@@H]([C@H](C(=O)[O-])O)O.[Ca+2]
Complexity: 95.6
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 6
RotatableBondCount: 4
CatalogNumber:
AI55289
ChemicalName:
L-Threonic acid calcium salt
CasNumber:
70753-61-6
MolecularFormula:
C8H14CaO10
MolecularWeight:
310.2688
MdlNumber:
MFCD23701631
Smiles:
OC[C@@H]([C@H](C(=O)[O-])O)O.OC[C@@H]([C@H](C(=O)[O-])O)O.[Ca+2]
Complexity:
95.6
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
6
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)OC(C(S(=O)(=O)[O-])(F)F)(F)F.[K+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
FC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)OC(C(S(=O)(=O)[O-])(F)F)(F)F.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc2c1ccoc2=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1cccc2c1ccoc2=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@@H]1CC[C@H](CC1)C(=O)O)C
Complexity: 155
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@@H]1CC[C@H](CC1)C(=O)O)C
Complexity:
155
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__