3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)

C180H279ClF27N17O29P2S6 — CID 158043757

About 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)

3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane) (PubChem CID 158043757) has the molecular formula C180H279ClF27N17O29P2S6 and a molecular weight of 3957.09 g/mol. Its IUPAC name is 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane).

Molecular Properties

• Compound Name: 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)
• PubChem CID: 158043757
• Molecular Formula: C180H279ClF27N17O29P2S6
• Molecular Weight: 3957.09 g/mol
• Exact Mass: 3953.84
• IUPAC Name: 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)
• SMILES: CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CN(CCOc1ccc2c(c1)CCC1C2CC[C@]2(C)[C@@H](OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@@H]12)CCC(C)(C)SSCCCCCCNC(=O)CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.[2H]C([3H])Cl.[2H]C[C@H]1O[C@@H](n2cc(CCC(=O)NCCCCCCSSC(C)(C)CCN(C)CCOc3ccc4c(c3)CCC3C4CC[C@]4(C)[C@@H](OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@@H]34)c(=O)[nH]c2=O)C[C@@H]1O.[2H]C[C@H]1O[C@@H](n2cc(CCC(=O)NCCCCCCSSC(C)(C)CCN(C)CCOc3ccc4c(c3)CCC3C4CC[C@]4(C)[C@@H](OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@@H]34)c(=O)[nH]c2=O)C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C.[3H]OC.[3H]OC
• InChI: InChI=1S/C60H90F9N6O9PS2.C51H73F9N4O9S2.C51H73F9N4O8S2.C15H32N3OP.CH3Cl.2CH4O/c1-39(2)75(40(3)4)85(82-33-14-27-70)84-49-37-52(83-41(49)5)74-38-43(53(77)72-54(74)78)17-23-51(76)71-28-12-10-11-13-35-86-87-55(6,7)26-29-73(9)30-34-79-44-18-20-45-42(36-44)16-19-47-46(45)24-25-56(8)48(47)21-22-50(56)80-31-15-32-81-57(58(61,62)63,59(64,65)66)60(67,68)69;1-46(2,75-74-27-8-6-5-7-21-61-42(67)17-11-33-30-64(45(69)62-44(33)68)43-29-39(66)40(31-65)73-43)20-22-63(4)23-26-70-34-12-14-35-32(28-34)10-13-37-36(35)18-19-47(3)38(37)15-16-41(47)71-24-9-25-72-48(49(52,53)54,50(55,56)57)51(58,59)60;1-32-40(65)30-43(72-32)64-31-34(44(67)62-45(64)68)12-18-42(66)61-22-8-6-7-9-28-73-74-46(2,3)21-23-63(5)24-27-69-35-13-15-36-33(29-35)11-14-38-37(36)19-20-47(4)39(38)16-17-41(47)70-25-10-26-71-48(49(52,53)54,50(55,56)57)51(58,59)60;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;3*1-2/h18,20,36,38-41,46-50,52H,10-17,19,21-26,28-35,37H2,1-9H3,(H,71,76)(H,72,77,78);12,14,28,30,36-41,43,65-66H,5-11,13,15-27,29,31H2,1-4H3,(H,61,67)(H,62,68,69);13,15,29,31-32,37-41,43,65H,6-12,14,16-28,30H2,1-5H3,(H,61,66)(H,62,67,68);12-15H,9,11H2,1-8H3;1H3;2*2H,1H3/t41-,46?,47?,48+,49+,50+,52-,56+,85?;36?,37?,38-,39-,40+,41-,43+,47-;32-,37?,38?,39+,40+,41+,43-,47+;;;;/m101..../s1/i5D;;1D;;1TD;2*2T
• InChIKey: FIQXFUSYSNOKEN-OUEGEJFUSA-N
• XLogP: 38.07
• TPSA: 558.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 98
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3957.09
LogP ≤ 5	38.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)?

The IUPAC name of 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane) (CID 158043757) is 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane).

What is the SMILES notation for 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)?

The canonical SMILES for 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane) is CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CN(CCOc1ccc2c(c1)CCC1C2CC[C@]2(C)[C@@H](OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@@H]12)CCC(C)(C)SSCCCCCCNC(=O)CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.[2H]C([3H])Cl.[2H]C[C@H]1O[C@@H](n2cc(CCC(=O)NCCCCCCSSC(C)(C)CCN(C)CCOc3ccc4c(c3)CCC3C4CC[C@]4(C)[C@@H](OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@@H]34)c(=O)[nH]c2=O)C[C@@H]1O.[2H]C[C@H]1O[C@@H](n2cc(CCC(=O)NCCCCCCSSC(C)(C)CCN(C)CCOc3ccc4c(c3)CCC3C4CC[C@]4(C)[C@@H](OCCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC[C@@H]34)c(=O)[nH]c2=O)C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C.[3H]OC.[3H]OC.

What is the InChIKey of 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)?

The InChIKey is FIQXFUSYSNOKEN-OUEGEJFUSA-N. The full InChI is InChI=1S/C60H90F9N6O9PS2.C51H73F9N4O9S2.C51H73F9N4O8S2.C15H32N3OP.CH3Cl.2CH4O/c1-39(2)75(40(3)4)85(82-33-14-27-70)84-49-37-52(83-41(49)5)74-38-43(53(77)72-54(74)78)17-23-51(76)71-28-12-10-11-13-35-86-87-55(6,7)26-29-73(9)30-34-79-44-18-20-45-42(36-44)16-19-47-46(45)24-25-56(8)48(47)21-22-50(56)80-31-15-32-81-57(58(61,62)63,59(64,65)66)60(67,68)69;1-46(2,75-74-27-8-6-5-7-21-61-42(67)17-11-33-30-64(45(69)62-44(33)68)43-29-39(66)40(31-65)73-43)20-22-63(4)23-26-70-34-12-14-35-32(28-34)10-13-37-36(35)18-19-47(3)38(37)15-16-41(47)71-24-9-25-72-48(49(52,53)54,50(55,56)57)51(58,59)60;1-32-40(65)30-43(72-32)64-31-34(44(67)62-45(64)68)12-18-42(66)61-22-8-6-7-9-28-73-74-46(2,3)21-23-63(5)24-27-69-35-13-15-36-33(29-35)11-14-38-37(36)19-20-47(4)39(38)16-17-41(47)70-25-10-26-71-48(49(52,53)54,50(55,56)57)51(58,59)60;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;3*1-2/h18,20,36,38-41,46-50,52H,10-17,19,21-26,28-35,37H2,1-9H3,(H,71,76)(H,72,77,78);12,14,28,30,36-41,43,65-66H,5-11,13,15-27,29,31H2,1-4H3,(H,61,67)(H,62,68,69);13,15,29,31-32,37-41,43,65H,6-12,14,16-28,30H2,1-5H3,(H,61,66)(H,62,67,68);12-15H,9,11H2,1-8H3;1H3;2*2H,1H3/t41-,46?,47?,48+,49+,50+,52-,56+,85?;36?,37?,38-,39-,40+,41-,43+,47-;32-,37?,38?,39+,40+,41+,43-,47+;;;;/m101..../s1/i5D;;1D;;1TD;2*2T.

What are the key properties of 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane)?

3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane) has a molecular weight of 3957.09 g/mol, XLogP of 38.07, 98 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;chloro-deuterio-tritiomethane;3-[1-[(2R,4S,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(deuteriomethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;3-[1-[(2R,4S,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]propanamide;N-[6-[[4-[2-[[(13S,14S,17S)-17-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]ethyl-methylamino]-2-methylbutan-2-yl]disulfanyl]hexyl]-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide;bis(tritiooxymethane) is sourced from PubChem (CID 158043757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).