AB50279
28319-77-9 | (2-{[(2R)-2,3-dihydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
Manufacturer: A2B Chem
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CatalogNumber
AB50279
ChemicalName
(2-{[(2R)-2,3-dihydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
CasNumber
28319-77-9
MolecularFormula
C8H20NO6P
MolecularWeight
257.2213
MdlNumber
MFCD00063544
Smiles
OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
Complexity
233
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
-2.3
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CatalogNumber: AB50279
ChemicalName: (2-{[(2R)-2,3-dihydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
CasNumber: 28319-77-9
MolecularFormula: C8H20NO6P
MolecularWeight: 257.2213
MdlNumber: MFCD00063544
Smiles: OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
Complexity: 233
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: -2.3
CatalogNumber:
AB50279
ChemicalName:
(2-{[(2R)-2,3-dihydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
CasNumber:
28319-77-9
MolecularFormula:
C8H20NO6P
MolecularWeight:
257.2213
MdlNumber:
MFCD00063544
Smiles:
OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
Complexity:
233
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
-2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](c1ccc(cc1)O)NC(=O)OC(C)(C)C
Complexity: 328
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](c1ccc(cc1)O)NC(=O)OC(C)(C)C
Complexity:
328
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AB50281
ChemicalName: Pyrazolo[1,5-a]pyridine
CasNumber: 274-56-6
MolecularFormula: C7H6N2
MolecularWeight: 118.1359
MdlNumber: MFCD08752622
Smiles: c1ccc2n(c1)ncc2
Complexity: 103
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB50281
ChemicalName:
Pyrazolo[1,5-a]pyridine
CasNumber:
274-56-6
MolecularFormula:
C7H6N2
MolecularWeight:
118.1359
MdlNumber:
MFCD08752622
Smiles:
c1ccc2n(c1)ncc2
Complexity:
103
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AB50282
ChemicalName: 2-(Furan-2-yl)acetic acid
CasNumber: 2745-26-8
MolecularFormula: C6H6O3
MolecularWeight: 126.11
MdlNumber: MFCD00798036
Smiles: OC(=O)Cc1ccco1
Complexity: 111
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB50282
ChemicalName:
2-(Furan-2-yl)acetic acid
CasNumber:
2745-26-8
MolecularFormula:
C6H6O3
MolecularWeight:
126.11
MdlNumber:
MFCD00798036
Smiles:
OC(=O)Cc1ccco1
Complexity:
111
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6