AB52608
764659-72-5 | (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB52608
ChemicalName
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
CasNumber
764659-72-5
MolecularFormula
C18H26FN3O4S
MolecularWeight
399.4801
MdlNumber
MFCD09753268
Smiles
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@H](O1)n1cc(F)c(nc1=O)N)C(C)C
Complexity
669
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.2
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CatalogNumber: AB52608
ChemicalName: (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
CasNumber: 764659-72-5
MolecularFormula: C18H26FN3O4S
MolecularWeight: 399.4801
MdlNumber: MFCD09753268
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@H](O1)n1cc(F)c(nc1=O)N)C(C)C
Complexity: 669
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AB52608
ChemicalName:
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
CasNumber:
764659-72-5
MolecularFormula:
C18H26FN3O4S
MolecularWeight:
399.4801
MdlNumber:
MFCD09753268
Smiles:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]1SC[C@H](O1)n1cc(F)c(nc1=O)N)C(C)C
Complexity:
669
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCC(CCCCCCCC)CBr
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCC(CCCCCCCC)CBr
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AB52610
ChemicalName: 9-(1-Octylnonyl)carbazole-2,7-bis(boronic acid pinacol ester)
CasNumber: 958261-51-3
MolecularFormula: C41H65B2NO4
MolecularWeight: 657.5811
MdlNumber: MFCD16621134
Smiles: CCCCCCCCC(n1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CCCCCCCC
Complexity: 895
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 48
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 17
Xlogp3: __
CatalogNumber:
AB52610
ChemicalName:
9-(1-Octylnonyl)carbazole-2,7-bis(boronic acid pinacol ester)
CasNumber:
958261-51-3
MolecularFormula:
C41H65B2NO4
MolecularWeight:
657.5811
MdlNumber:
MFCD16621134
Smiles:
CCCCCCCCC(n1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)CCCCCCCC
Complexity:
895
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
48
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
17
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1n[nH]c(c1Cl)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1n[nH]c(c1Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__