AA73281
145224-92-6 | Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
Manufacturer: A2B Chem
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CatalogNumber
AA73281
ChemicalName
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
CasNumber
145224-92-6
MolecularFormula
C24H41NaO5
MolecularWeight
432.5691
MdlNumber
MFCD00150750
Smiles
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)C.[Na+].O
Complexity
612
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
10
HeavyAtomCount
30
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
4
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CatalogNumber: AA73281
ChemicalName: Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
CasNumber: 145224-92-6
MolecularFormula: C24H41NaO5
MolecularWeight: 432.5691
MdlNumber: MFCD00150750
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)C.[Na+].O
Complexity: 612
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 10
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AA73281
ChemicalName:
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
CasNumber:
145224-92-6
MolecularFormula:
C24H41NaO5
MolecularWeight:
432.5691
MdlNumber:
MFCD00150750
Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)[O-])C)C)C.[Na+].O
Complexity:
612
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
10
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: __
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Smiles: ClCC(=O)N1CCNCC1
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Smiles:
ClCC(=O)N1CCNCC1
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Smiles: O=C1CCC2(C=C1)CCCC2
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Smiles:
O=C1CCC2(C=C1)CCCC2
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1nnc(c(c1)O)Cl.O.O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nnc(c(c1)O)Cl.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__