AI29250
130-40-5 | Riboflavin sodium phosphate
Manufacturer: A2B Chem
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CatalogNumber
AI29250
ChemicalName
Riboflavin sodium phosphate
CasNumber
130-40-5
MolecularFormula
C17H20N4NaO9P
MolecularWeight
478.3256309999999
MdlNumber
MFCD00065362
Smiles
O=c1[nH]c(=O)c2-c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O)c1c(n2)cc(c(c1)C)C.[Na+]
Complexity
856
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
32
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
5
RotatableBondCount
7
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CatalogNumber: AI29250
ChemicalName: Riboflavin sodium phosphate
CasNumber: 130-40-5
MolecularFormula: C17H20N4NaO9P
MolecularWeight: 478.3256309999999
MdlNumber: MFCD00065362
Smiles: O=c1[nH]c(=O)c2-c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O)c1c(n2)cc(c(c1)C)C.[Na+]
Complexity: 856
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 7
CatalogNumber:
AI29250
ChemicalName:
Riboflavin sodium phosphate
CasNumber:
130-40-5
MolecularFormula:
C17H20N4NaO9P
MolecularWeight:
478.3256309999999
MdlNumber:
MFCD00065362
Smiles:
O=c1[nH]c(=O)c2-c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O)c1c(n2)cc(c(c1)C)C.[Na+]
Complexity:
856
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
7
CatalogNumber: __
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Smiles: O/N=C/c1cc2c(o1)ncc(c2)Br
Complexity: __
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__
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Smiles:
O/N=C/c1cc2c(o1)ncc(c2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: O/N=C/c1c(F)cnc(c1I)NC(=O)C(C)(C)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O/N=C/c1c(F)cnc(c1I)NC(=O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: CCOC(=O)/C(=C1/NC=C(C=C1Cl)C(F)(F)F)/C#N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C(=C1/NC=C(C=C1Cl)C(F)(F)F)/C#N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__