AB43555
92420-89-8 | 2,3,4-Tri-o-acetyl-alpha-d-glucuronic acid methyl ester, trichloroacetimidate
Manufacturer: A2B Chem
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CatalogNumber
AB43555
ChemicalName
2,3,4-Tri-o-acetyl-alpha-d-glucuronic acid methyl ester, trichloroacetimidate
CasNumber
92420-89-8
MolecularFormula
C15H18Cl3NO10
MolecularWeight
478.6631
MdlNumber
MFCD02094293
Smiles
COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity
680
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
29
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
1
RotatableBondCount
10
Xlogp3
1.7
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CatalogNumber: AB43555
ChemicalName: 2,3,4-Tri-o-acetyl-alpha-d-glucuronic acid methyl ester, trichloroacetimidate
CasNumber: 92420-89-8
MolecularFormula: C15H18Cl3NO10
MolecularWeight: 478.6631
MdlNumber: MFCD02094293
Smiles: COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: 680
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 1
RotatableBondCount: 10
Xlogp3: 1.7
CatalogNumber:
AB43555
ChemicalName:
2,3,4-Tri-o-acetyl-alpha-d-glucuronic acid methyl ester, trichloroacetimidate
CasNumber:
92420-89-8
MolecularFormula:
C15H18Cl3NO10
MolecularWeight:
478.6631
MdlNumber:
MFCD02094293
Smiles:
COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
680
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
1
RotatableBondCount:
10
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cc(I)c(c(c1)C(=O)O)I
Complexity: 186
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1cc(I)c(c(c1)C(=O)O)I
Complexity:
186
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc2c(cc1O)c1cc(O)c(cc1c1c2cc(O)c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc2c(cc1O)c1cc(O)c(cc1c1c2cc(O)c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1Cl)N)Cl
Complexity: 120
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1Cl)N)Cl
Complexity:
120
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7