AB53114
32981-86-5 | 10-Deacetylbaccatin iii
Manufacturer: A2B Chem
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CatalogNumber
AB53114
ChemicalName
10-Deacetylbaccatin iii
CasNumber
32981-86-5
MolecularFormula
C29H36O10
MolecularWeight
544.5901
MdlNumber
MFCD09027979
Smiles
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Complexity
1090
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
9
HeavyAtomCount
39
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
4
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AB53114
ChemicalName: 10-Deacetylbaccatin iii
CasNumber: 32981-86-5
MolecularFormula: C29H36O10
MolecularWeight: 544.5901
MdlNumber: MFCD09027979
Smiles: CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Complexity: 1090
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 9
HeavyAtomCount: 39
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 4
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AB53114
ChemicalName:
10-Deacetylbaccatin iii
CasNumber:
32981-86-5
MolecularFormula:
C29H36O10
MolecularWeight:
544.5901
MdlNumber:
MFCD09027979
Smiles:
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Complexity:
1090
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
9
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
4
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: AB53115
ChemicalName: 3-(Morpholinomethyl)phenylboronic acid, pinacol ester
CasNumber: 364794-80-9
MolecularFormula: C17H26BNO3
MolecularWeight: 303.2042
MdlNumber: MFCD06797489
Smiles: CC1(C)OB(OC1(C)C)c1cccc(c1)CN1CCOCC1
Complexity: 366
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB53115
ChemicalName:
3-(Morpholinomethyl)phenylboronic acid, pinacol ester
CasNumber:
364794-80-9
MolecularFormula:
C17H26BNO3
MolecularWeight:
303.2042
MdlNumber:
MFCD06797489
Smiles:
CC1(C)OB(OC1(C)C)c1cccc(c1)CN1CCOCC1
Complexity:
366
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1C[C@@H]2CC[C@H](C1)N2C
Complexity: 121
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1C[C@@H]2CC[C@H](C1)N2C
Complexity:
121
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C
Complexity: 411
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C
Complexity:
411
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5