AB46980
53123-88-9 | Rapamycin
Manufacturer: A2B Chem
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CatalogNumber
AB46980
ChemicalName
Rapamycin
CasNumber
53123-88-9
MolecularFormula
C51H79NO13
MolecularWeight
914.1719
MdlNumber
MFCD00867594
Smiles
CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C
Complexity
1760
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
15
DefinedBondStereocenterCount
4
HeavyAtomCount
65
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
6
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CatalogNumber: AB46980
ChemicalName: Rapamycin
CasNumber: 53123-88-9
MolecularFormula: C51H79NO13
MolecularWeight: 914.1719
MdlNumber: MFCD00867594
Smiles: CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C
Complexity: 1760
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 15
DefinedBondStereocenterCount: 4
HeavyAtomCount: 65
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 6
CatalogNumber:
AB46980
ChemicalName:
Rapamycin
CasNumber:
53123-88-9
MolecularFormula:
C51H79NO13
MolecularWeight:
914.1719
MdlNumber:
MFCD00867594
Smiles:
CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C
Complexity:
1760
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
15
DefinedBondStereocenterCount:
4
HeavyAtomCount:
65
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)oc1-c(n2)ccc(=O)c1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)oc1-c(n2)ccc(=O)c1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB46982
ChemicalName: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CasNumber: 501-36-0
MolecularFormula: C14H12O3
MolecularWeight: 228.24328
MdlNumber: MFCD00133799
Smiles: Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Complexity: 246
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB46982
ChemicalName:
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CasNumber:
501-36-0
MolecularFormula:
C14H12O3
MolecularWeight:
228.24328
MdlNumber:
MFCD00133799
Smiles:
Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Complexity:
246
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Rh]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Rh]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__