AA76780
151533-22-1 | Calcium levomefolate
Manufacturer: A2B Chem
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CatalogNumber
AA76780
ChemicalName
Calcium levomefolate
CasNumber
151533-22-1
MolecularFormula
C20H23CaN7O6
MolecularWeight
497.5179
MdlNumber
MFCD18642975
Smiles
[O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1C)c(=O)[nH]c(n2)N.[Ca+2]
Complexity
854
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
7
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CatalogNumber: AA76780
ChemicalName: Calcium levomefolate
CasNumber: 151533-22-1
MolecularFormula: C20H23CaN7O6
MolecularWeight: 497.5179
MdlNumber: MFCD18642975
Smiles: [O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1C)c(=O)[nH]c(n2)N.[Ca+2]
Complexity: 854
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 7
CatalogNumber:
AA76780
ChemicalName:
Calcium levomefolate
CasNumber:
151533-22-1
MolecularFormula:
C20H23CaN7O6
MolecularWeight:
497.5179
MdlNumber:
MFCD18642975
Smiles:
[O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1C)c(=O)[nH]c(n2)N.[Ca+2]
Complexity:
854
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CC(c1c[nH]nc1N)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
CC(c1c[nH]nc1N)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
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CasNumber: __
MolecularFormula: __
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Smiles: CCCc1c[nH]nc1N
Complexity: 84.4
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCc1c[nH]nc1N
Complexity:
84.4
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: CCC(=O)OC[C@]1(C)[C@H](CC[C@]2([C@H]1C[C@H](OC(=O)C)[C@@]1([C@@H]2[C@@H](O)c2c(O1)cc(oc2=O)c1cccnc1)C)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)OC[C@]1(C)[C@H](CC[C@]2([C@H]1C[C@H](OC(=O)C)[C@@]1([C@@H]2[C@@H](O)c2c(O1)cc(oc2=O)c1cccnc1)C)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__