AB69521
76326-31-3 | (S)-2-Amino-5-phosphonopentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69521
ChemicalName
(S)-2-Amino-5-phosphonopentanoic acid
CasNumber
76326-31-3
MolecularFormula
C5H12NO5P
MolecularWeight
197.1262
MdlNumber
MFCD00010515
Smiles
OC(=O)[C@H](CCCP(=O)(O)O)N
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
-5.3
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CatalogNumber: AB69521
ChemicalName: (S)-2-Amino-5-phosphonopentanoic acid
CasNumber: 76326-31-3
MolecularFormula: C5H12NO5P
MolecularWeight: 197.1262
MdlNumber: MFCD00010515
Smiles: OC(=O)[C@H](CCCP(=O)(O)O)N
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: -5.3
CatalogNumber:
AB69521
ChemicalName:
(S)-2-Amino-5-phosphonopentanoic acid
CasNumber:
76326-31-3
MolecularFormula:
C5H12NO5P
MolecularWeight:
197.1262
MdlNumber:
MFCD00010515
Smiles:
OC(=O)[C@H](CCCP(=O)(O)O)N
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
-5.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cncnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cncnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB69523
ChemicalName: Pyrimidine-5-carboxylic acid
CasNumber: 4595-61-3
MolecularFormula: C5H4N2O2
MolecularWeight: 124.0975
MdlNumber: MFCD00008166
Smiles: OC(=O)c1cncnc1
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: -0.3
CatalogNumber:
AB69523
ChemicalName:
Pyrimidine-5-carboxylic acid
CasNumber:
4595-61-3
MolecularFormula:
C5H4N2O2
MolecularWeight:
124.0975
MdlNumber:
MFCD00008166
Smiles:
OC(=O)c1cncnc1
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.3
CatalogNumber: AB69524
ChemicalName: 5-tert-Butoxy-5-oxopentanoic acid
CasNumber: 63128-51-8
MolecularFormula: C9H16O4
MolecularWeight: 188.2209
MdlNumber: MFCD09759103
Smiles: O=C(OC(C)(C)C)CCCC(=O)O
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
AB69524
ChemicalName:
5-tert-Butoxy-5-oxopentanoic acid
CasNumber:
63128-51-8
MolecularFormula:
C9H16O4
MolecularWeight:
188.2209
MdlNumber:
MFCD09759103
Smiles:
O=C(OC(C)(C)C)CCCC(=O)O
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9