bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)

C71H118F2N5O14PS79 — CID 159928783

IUPACbis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)
SMILESC.CCC(CC)(CC)CC(=O)CCC(C)(C)SSc1ccccc1CCO.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[2H]CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O.[2H]CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1OP(OCCc1ccccc1SSC(C)(C)CCC(=O)CC(CC)(CC)CC)N(C(C)C)C(C)C.[3H]OC.[3H]OC
InChIInChI=1S/C37H59FN3O6PS2.C22H36O2S2.C9H11FN2O4.2CH4O.CH4.S75/c1-11-37(12-2,13-3)24-29(42)18-21-36(9,10)50-49-30-17-15-14-16-28(30)20-23-45-48(41(25(4)5)26(6)7)47-33-27(8)46-34(32(33)38)40-22-19-31(43)39-35(40)44;1-6-22(7-2,8-3)17-19(24)13-15-21(4,5)26-25-20-12-10-9-11-18(20)14-16-23;1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15;2*1-2;;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14-17,19,22,25-27,32-34H,11-13,18,20-21,23-24H2,1-10H3,(H,39,43,44);9-12,23H,6-8,13-17H2,1-5H3;2-4,6-8,14H,1H3,(H,11,13,15);2*2H,1H3;1H4;/i8D;;1D;2*2T;;
InChIKeyNZJDQXHFPUTOOZ-CQWSZPPMSA-N
MW3874.04 g/mol
LogP14.78
Rot. Bonds37

About bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)

bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane) (PubChem CID 159928783) has the molecular formula C71H118F2N5O14PS79 and a molecular weight of 3874.04 g/mol. Its IUPAC name is bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane).

Molecular Properties

Compound Namebis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)
PubChem CID159928783
Molecular FormulaC71H118F2N5O14PS79
Molecular Weight3874.04 g/mol
Exact Mass3865.66
IUPAC Namebis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)
SMILESC.CCC(CC)(CC)CC(=O)CCC(C)(C)SSc1ccccc1CCO.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[2H]CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O.[2H]CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1OP(OCCc1ccccc1SSC(C)(C)CCC(=O)CC(CC)(CC)CC)N(C(C)C)C(C)C.[3H]OC.[3H]OC
InChIInChI=1S/C37H59FN3O6PS2.C22H36O2S2.C9H11FN2O4.2CH4O.CH4.S75/c1-11-37(12-2,13-3)24-29(42)18-21-36(9,10)50-49-30-17-15-14-16-28(30)20-23-45-48(41(25(4)5)26(6)7)47-33-27(8)46-34(32(33)38)40-22-19-31(43)39-35(40)44;1-6-22(7-2,8-3)17-19(24)13-15-21(4,5)26-25-20-12-10-9-11-18(20)14-16-23;1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15;2*1-2;;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14-17,19,22,25-27,32-34H,11-13,18,20-21,23-24H2,1-10H3,(H,39,43,44);9-12,23H,6-8,13-17H2,1-5H3;2-4,6-8,14H,1H3,(H,11,13,15);2*2H,1H3;1H4;/i8D;;1D;2*2T;;
InChIKeyNZJDQXHFPUTOOZ-CQWSZPPMSA-N
XLogP14.78
TPSA264.94 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003874.04
LogP ≤ 514.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane) with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,3S,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[2-[2-[(1-imidazol-1-yl-2-methylpropan-2-yl)disulfanyl]phenyl]ethoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 129062346
5-(tert-butyldisulfanyl)pentan-1-ol;1-[4-[5-(tert-butyldisulfanyl)pentoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;bis(tritiooxymethane);uranium
CID 160701918
1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-[4-[[8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-5-oxooctan-2-yl]disulfanyl]butoxy]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 159184781
2-[4-[[2-(deuteriomethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxybutyldisulfanyl]-N,N,2-trimethylpropanamide
CID 129062337
1-[(2R,5R)-4-[3,3-dimethylbutoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71021956
O-[(2R,3S,5R)-5-(deuteriomethyl)-2-(2,4-dioxopyrimidin-1-yl)-4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyoxolan-3-yl] N-methoxy-N-methylcarbamothioate;tritiooxymethane
CID 161082228
N-[1-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxy-3-fluorooxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;tritiooxymethane
CID 160780396
4-[[2-[2-[[2-(deuteriomethyl)-4-methoxy-5-[7-oxo-5-[[2-(4-propan-2-ylphenoxy)acetyl]amino]-6H-imidazo[4,5-b]pyridin-3-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]phenyl]disulfanyl]-N-[[4-(5,5-diethyl-1,3-dioxan-2-yl)phenyl]methyl]-4-methylpentanamide
CID 157229545
3-[[(2R,5R)-2-(dimethoxyphosphorylmethoxy)-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 142299843
N-[9-[(2R,3S,5R)-5-(deuteriomethyl)-4-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-fluorooxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide;tritiooxymethane
CID 158867917
3-[5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-fluorooxolan-2-yl]-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 58287971
1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(3-hydroxypropoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;tritiooxymethane
CID 161184904

Frequently Asked Questions

What is the IUPAC name of bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)?
The IUPAC name of bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane) (CID 159928783) is bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane).
What is the SMILES notation for bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)?
The canonical SMILES for bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane) is C.CCC(CC)(CC)CC(=O)CCC(C)(C)SSc1ccccc1CCO.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.[2H]CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1O.[2H]CC1OC(n2ccc(=O)[nH]c2=O)C(F)C1OP(OCCc1ccccc1SSC(C)(C)CCC(=O)CC(CC)(CC)CC)N(C(C)C)C(C)C.[3H]OC.[3H]OC.
What is the InChIKey of bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)?
The InChIKey is NZJDQXHFPUTOOZ-CQWSZPPMSA-N. The full InChI is InChI=1S/C37H59FN3O6PS2.C22H36O2S2.C9H11FN2O4.2CH4O.CH4.S75/c1-11-37(12-2,13-3)24-29(42)18-21-36(9,10)50-49-30-17-15-14-16-28(30)20-23-45-48(41(25(4)5)26(6)7)47-33-27(8)46-34(32(33)38)40-22-19-31(43)39-35(40)44;1-6-22(7-2,8-3)17-19(24)13-15-21(4,5)26-25-20-12-10-9-11-18(20)14-16-23;1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15;2*1-2;;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14-17,19,22,25-27,32-34H,11-13,18,20-21,23-24H2,1-10H3,(H,39,43,44);9-12,23H,6-8,13-17H2,1-5H3;2-4,6-8,14H,1H3,(H,11,13,15);2*2H,1H3;1H4;/i8D;;1D;2*2T;;.
What are the key properties of bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane)?
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane) has a molecular weight of 3874.04 g/mol, XLogP of 14.78, 37 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;1-[5-(deuteriomethyl)-4-[2-[2-[(7,7-diethyl-2-methyl-5-oxononan-2-yl)disulfanyl]phenyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]pyrimidine-2,4-dione;1-[5-(deuteriomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;7,7-diethyl-2-[[2-(2-hydroxyethyl)phenyl]disulfanyl]-2-methylnonan-5-one;methane;bis(tritiooxymethane) is sourced from PubChem (CID 159928783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).