AF57439
36476-29-6 | 4-Methylumbelliferyl 2-acetamido-2-deoxy-beta-d-galactopyranoside
Manufacturer: A2B Chem
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CatalogNumber
AF57439
ChemicalName
4-Methylumbelliferyl 2-acetamido-2-deoxy-beta-d-galactopyranoside
CasNumber
36476-29-6
MolecularFormula
C18H21NO8
MolecularWeight
379.3612
MdlNumber
MFCD03791283
Smiles
OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Complexity
608
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
27
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
-0.8
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CatalogNumber: AF57439
ChemicalName: 4-Methylumbelliferyl 2-acetamido-2-deoxy-beta-d-galactopyranoside
CasNumber: 36476-29-6
MolecularFormula: C18H21NO8
MolecularWeight: 379.3612
MdlNumber: MFCD03791283
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Complexity: 608
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: -0.8
CatalogNumber:
AF57439
ChemicalName:
4-Methylumbelliferyl 2-acetamido-2-deoxy-beta-d-galactopyranoside
CasNumber:
36476-29-6
MolecularFormula:
C18H21NO8
MolecularWeight:
379.3612
MdlNumber:
MFCD03791283
Smiles:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Complexity:
608
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC[C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.OC[C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.[Ca+2]
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Smiles:
OC[C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.OC[C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.[Ca+2]
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCC=CCCCCCCCC(=O)OCC(CO)O
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Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Complexity:
__
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COC1=C(C=CC(=C1)CC(C(=O)O)N)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=C(C=CC(=C1)CC(C(=O)O)N)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__