AB23853
235788-61-1 | Fmoc-Dab(dde)-OH
Manufacturer: A2B Chem
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CatalogNumber
AB23853
ChemicalName
Fmoc-Dab(dde)-OH
CasNumber
235788-61-1
MolecularFormula
C29H32N2O6
MolecularWeight
504.5742
MdlNumber
MFCD11111552
Smiles
O=C(N[C@H](C(=O)O)CCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity
932
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
9
Xlogp3
3.9
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CatalogNumber: AB23853
ChemicalName: Fmoc-Dab(dde)-OH
CasNumber: 235788-61-1
MolecularFormula: C29H32N2O6
MolecularWeight: 504.5742
MdlNumber: MFCD11111552
Smiles: O=C(N[C@H](C(=O)O)CCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: 932
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 9
Xlogp3: 3.9
CatalogNumber:
AB23853
ChemicalName:
Fmoc-Dab(dde)-OH
CasNumber:
235788-61-1
MolecularFormula:
C29H32N2O6
MolecularWeight:
504.5742
MdlNumber:
MFCD11111552
Smiles:
O=C(N[C@H](C(=O)O)CCNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
932
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
9
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: [B-](F)(F)(F)F.CC1(C2=CC=CC=C2N(C1=CC=CC=CC=[N+](C)C)C)C
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
[B-](F)(F)(F)F.CC1(C2=CC=CC=C2N(C1=CC=CC=CC=[N+](C)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Cc1cccc(c1N)C1=CCCC1
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Smiles:
Cc1cccc(c1N)C1=CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3ccc(cc3)[N+](=O)[O-])[C@@H]([C@H]([C@H]2O)O)NC(=O)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3ccc(cc3)[N+](=O)[O-])[C@@H]([C@H]([C@H]2O)O)NC(=O)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__