AB47298
88568-95-0 | (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB47298
ChemicalName
(+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester
CasNumber
88568-95-0
MolecularFormula
C13H18NO7P
MolecularWeight
331.2583
MdlNumber
MFCD00043304
Smiles
COC(=O)C(P(=O)(OC)OC)NC(=O)OCc1ccccc1
Complexity
415
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AB47298
ChemicalName: (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester
CasNumber: 88568-95-0
MolecularFormula: C13H18NO7P
MolecularWeight: 331.2583
MdlNumber: MFCD00043304
Smiles: COC(=O)C(P(=O)(OC)OC)NC(=O)OCc1ccccc1
Complexity: 415
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AB47298
ChemicalName:
(+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester
CasNumber:
88568-95-0
MolecularFormula:
C13H18NO7P
MolecularWeight:
331.2583
MdlNumber:
MFCD00043304
Smiles:
COC(=O)C(P(=O)(OC)OC)NC(=O)OCc1ccccc1
Complexity:
415
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: AB47299
ChemicalName: 2-Hydroxyisobutyric acid
CasNumber: 594-61-6
MolecularFormula: C4H8O3
MolecularWeight: 104.1045
MdlNumber: MFCD00004459
Smiles: OC(=O)C(O)(C)C
Complexity: 84.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: -0.4
CatalogNumber:
AB47299
ChemicalName:
2-Hydroxyisobutyric acid
CasNumber:
594-61-6
MolecularFormula:
C4H8O3
MolecularWeight:
104.1045
MdlNumber:
MFCD00004459
Smiles:
OC(=O)C(O)(C)C
Complexity:
84.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccccc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccccc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1csc(c1)c1ccc(s1)c1cccs1
Complexity: 197
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1csc(c1)c1ccc(s1)c1cccs1
Complexity:
197
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.4