AA56106
1225497-78-8 | Rigosertib Sodium(Random Configuration)
Manufacturer: A2B Chem
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CatalogNumber
AA56106
ChemicalName
Rigosertib Sodium(Random Configuration)
CasNumber
1225497-78-8
MolecularFormula
C21H24NNaO8S
MolecularWeight
473.4719
MdlNumber
MFCD11655911
Smiles
COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)[O-])OC)OC.[Na+]
Complexity
684
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
11
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CatalogNumber: AA56106
ChemicalName: Rigosertib Sodium(Random Configuration)
CasNumber: 1225497-78-8
MolecularFormula: C21H24NNaO8S
MolecularWeight: 473.4719
MdlNumber: MFCD11655911
Smiles: COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)[O-])OC)OC.[Na+]
Complexity: 684
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 11
CatalogNumber:
AA56106
ChemicalName:
Rigosertib Sodium(Random Configuration)
CasNumber:
1225497-78-8
MolecularFormula:
C21H24NNaO8S
MolecularWeight:
473.4719
MdlNumber:
MFCD11655911
Smiles:
COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)[O-])OC)OC.[Na+]
Complexity:
684
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
11
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C#N)(CO)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C#N)(CO)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA56108
ChemicalName: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
CasNumber: 122555-91-3
MolecularFormula: C26H50N4O6
MolecularWeight: 514.6984
MdlNumber: MFCD05865261
Smiles: O=C(OC(C)(C)C)CN1CCN(CCNCCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity: 665
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 12
CatalogNumber:
AA56108
ChemicalName:
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate
CasNumber:
122555-91-3
MolecularFormula:
C26H50N4O6
MolecularWeight:
514.6984
MdlNumber:
MFCD05865261
Smiles:
O=C(OC(C)(C)C)CN1CCN(CCNCCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity:
665
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
12
CatalogNumber: AA56109
ChemicalName: L-4-Acetylphenylalanine
CasNumber: 122555-04-8
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD06659983
Smiles: N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)C
Complexity: 244
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AA56109
ChemicalName:
L-4-Acetylphenylalanine
CasNumber:
122555-04-8
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD06659983
Smiles:
N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)C
Complexity:
244
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4