AB52295
482-54-2 | 1,2-Cyclohexylenedinitrilotetraacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52295
ChemicalName
1,2-Cyclohexylenedinitrilotetraacetic acid
CasNumber
482-54-2
MolecularFormula
C14H22N2O8
MolecularWeight
346.3331
MdlNumber
MFCD00066429
Smiles
OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O
Complexity
419
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
4
RotatableBondCount
10
UndefinedAtomStereocenterCount
2
Xlogp3
-4.5
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CatalogNumber: AB52295
ChemicalName: 1,2-Cyclohexylenedinitrilotetraacetic acid
CasNumber: 482-54-2
MolecularFormula: C14H22N2O8
MolecularWeight: 346.3331
MdlNumber: MFCD00066429
Smiles: OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 4
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 2
Xlogp3: -4.5
CatalogNumber:
AB52295
ChemicalName:
1,2-Cyclohexylenedinitrilotetraacetic acid
CasNumber:
482-54-2
MolecularFormula:
C14H22N2O8
MolecularWeight:
346.3331
MdlNumber:
MFCD00066429
Smiles:
OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
4
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
2
Xlogp3:
-4.5
CatalogNumber: AB52297
ChemicalName: Boc-D-Dab-OH
CasNumber: 80445-78-9
MolecularFormula: C9H18N2O4
MolecularWeight: 218.2502
MdlNumber: MFCD00798622
Smiles: NCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: -2.3
CatalogNumber:
AB52297
ChemicalName:
Boc-D-Dab-OH
CasNumber:
80445-78-9
MolecularFormula:
C9H18N2O4
MolecularWeight:
218.2502
MdlNumber:
MFCD00798622
Smiles:
NCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
-2.3
CatalogNumber: AB52298
ChemicalName: Z-DAP-OH
CasNumber: 35761-26-3
MolecularFormula: C11H14N2O4
MolecularWeight: 238.2399
MdlNumber: MFCD00237345
Smiles: NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: -2.2
CatalogNumber:
AB52298
ChemicalName:
Z-DAP-OH
CasNumber:
35761-26-3
MolecularFormula:
C11H14N2O4
MolecularWeight:
238.2399
MdlNumber:
MFCD00237345
Smiles:
NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
-2.2
CatalogNumber: AB52299
ChemicalName: 5-Hydroxypentanal
CasNumber: 4221-03-8
MolecularFormula: C5H10O2
MolecularWeight: 102.1317
MdlNumber: MFCD00044411
Smiles: OCCCCC=O
Complexity: 43.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AB52299
ChemicalName:
5-Hydroxypentanal
CasNumber:
4221-03-8
MolecularFormula:
C5H10O2
MolecularWeight:
102.1317
MdlNumber:
MFCD00044411
Smiles:
OCCCCC=O
Complexity:
43.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3