[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C204H261N39O62P8S4 — CID 167575726

IUPAC[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@@H](OCCOC)C1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@@H](OCCOC)C1O)OC1[C@@H](COP(=S)(OCC[N+]#[C-])OC2[C@@H](CC)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2OCCOC)O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC.[C-]#[N+]CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OC1[C@@H](COP(=S)(OCC[N+]#[C-])OC2[C@@H](COP(=O)(OCC[N+]#[C-])OC3[C@@H](COP(=S)(OCC[N+]#[C-])OC4[C@@H](CC)O[C@@H](n5cnc6c(NC(=O)c7ccccc7)ncnc65)[C@H]4OCCOC)O[C@@H](n4cc(C)c(NC(=O)c5ccccc5)nc4=O)[C@H]3OCCOC)O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@H]2OCCOC)O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C
InChIInChI=1S/C99H123N19O31P4S2.C90H106N17O30P3S2.C15H32N3OP/c1-17-71-77(81(132-51-47-128-14)96(142-71)117-61-106-75-87(104-60-105-88(75)117)110-92(122)70-36-28-21-29-37-70)148-152(154,137-44-40-102-11)141-59-74-78(82(133-52-48-129-15)94(145-74)115-55-65(7)85(112-98(115)124)108-90(120)68-32-24-19-25-33-68)147-151(126,136-43-39-101-10)139-57-73-79(83(134-53-49-130-16)95(144-73)116-56-66(8)86(113-99(116)125)109-91(121)69-34-26-20-27-35-69)149-153(155,138-45-41-103-12)140-58-72-76(146-150(135-42-38-100-9)118(62(2)3)63(4)5)80(131-50-46-127-13)93(143-72)114-54-64(6)84(111-97(114)123)107-89(119)67-30-22-18-23-31-67;1-12-62-68(72(122-44-40-118-9)87(131-62)107-54-96-66-78(94-53-95-79(66)107)100-83(112)61-31-23-16-24-32-61)136-140(142,127-38-35-93-7)130-52-65-69(73(123-45-41-119-10)85(134-65)105-48-56(3)76(102-89(105)114)98-81(110)59-27-19-14-20-28-59)135-138(116,125-36-33-91-5)128-51-64-70(74(124-46-42-120-11)86(133-64)106-49-57(4)77(103-90(106)115)99-82(111)60-29-21-15-22-30-60)137-139(141,126-37-34-92-6)129-50-63-67(108)71(121-43-39-117-8)84(132-63)104-47-55(2)75(101-88(104)113)97-80(109)58-25-17-13-18-26-58;1-12(2)17(13(3)4)20(19-11-10-16-9)18(14(5)6)15(7)8/h18-37,54-56,60-63,71-74,76-83,93-96H,17,38-53,57-59H2,1-8,13-16H3,(H,104,105,110,122)(H,107,111,119,123)(H,108,112,120,124)(H,109,113,121,125);13-32,47-49,53-54,62-65,67-74,84-87,108H,12,33-46,50-52H2,1-4,8-11H3,(H,94,95,100,112)(H,97,101,109,113)(H,98,102,110,114)(H,99,103,111,115);12-15H,10-11H2,1-8H3/t71-,72-,73-,74-,76?,77?,78?,79?,80+,81+,82+,83+,93-,94-,95-,96-,150?,151?,152?,153?;62-,63-,64-,65-,67?,68?,69?,70?,71+,72+,73+,74+,84-,85-,86-,87-,138?,139?,140?;/m11./s1
InChIKeyGMSZBPDPDHINNP-KJTNCFITSA-N
MW4627.60 g/mol
LogP24.87
Rot. Bonds123

About [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 167575726) has the molecular formula C204H261N39O62P8S4 and a molecular weight of 4627.60 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID167575726
Molecular FormulaC204H261N39O62P8S4
Molecular Weight4627.60 g/mol
Exact Mass4624.53
IUPAC Name[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@@H](OCCOC)C1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@@H](OCCOC)C1O)OC1[C@@H](COP(=S)(OCC[N+]#[C-])OC2[C@@H](CC)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2OCCOC)O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC.[C-]#[N+]CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OC1[C@@H](COP(=S)(OCC[N+]#[C-])OC2[C@@H](COP(=O)(OCC[N+]#[C-])OC3[C@@H](COP(=S)(OCC[N+]#[C-])OC4[C@@H](CC)O[C@@H](n5cnc6c(NC(=O)c7ccccc7)ncnc65)[C@H]4OCCOC)O[C@@H](n4cc(C)c(NC(=O)c5ccccc5)nc4=O)[C@H]3OCCOC)O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@H]2OCCOC)O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C
InChIInChI=1S/C99H123N19O31P4S2.C90H106N17O30P3S2.C15H32N3OP/c1-17-71-77(81(132-51-47-128-14)96(142-71)117-61-106-75-87(104-60-105-88(75)117)110-92(122)70-36-28-21-29-37-70)148-152(154,137-44-40-102-11)141-59-74-78(82(133-52-48-129-15)94(145-74)115-55-65(7)85(112-98(115)124)108-90(120)68-32-24-19-25-33-68)147-151(126,136-43-39-101-10)139-57-73-79(83(134-53-49-130-16)95(144-73)116-56-66(8)86(113-99(116)125)109-91(121)69-34-26-20-27-35-69)149-153(155,138-45-41-103-12)140-58-72-76(146-150(135-42-38-100-9)118(62(2)3)63(4)5)80(131-50-46-127-13)93(143-72)114-54-64(6)84(111-97(114)123)107-89(119)67-30-22-18-23-31-67;1-12-62-68(72(122-44-40-118-9)87(131-62)107-54-96-66-78(94-53-95-79(66)107)100-83(112)61-31-23-16-24-32-61)136-140(142,127-38-35-93-7)130-52-65-69(73(123-45-41-119-10)85(134-65)105-48-56(3)76(102-89(105)114)98-81(110)59-27-19-14-20-28-59)135-138(116,125-36-33-91-5)128-51-64-70(74(124-46-42-120-11)86(133-64)106-49-57(4)77(103-90(106)115)99-82(111)60-29-21-15-22-30-60)137-139(141,126-37-34-92-6)129-50-63-67(108)71(121-43-39-117-8)84(132-63)104-47-55(2)75(101-88(104)113)97-80(109)58-25-17-13-18-26-58;1-12(2)17(13(3)4)20(19-11-10-16-9)18(14(5)6)15(7)8/h18-37,54-56,60-63,71-74,76-83,93-96H,17,38-53,57-59H2,1-8,13-16H3,(H,104,105,110,122)(H,107,111,119,123)(H,108,112,120,124)(H,109,113,121,125);13-32,47-49,53-54,62-65,67-74,84-87,108H,12,33-46,50-52H2,1-4,8-11H3,(H,94,95,100,112)(H,97,101,109,113)(H,98,102,110,114)(H,99,103,111,115);12-15H,10-11H2,1-8H3/t71-,72-,73-,74-,76?,77?,78?,79?,80+,81+,82+,83+,93-,94-,95-,96-,150?,151?,152?,153?;62-,63-,64-,65-,67?,68?,69?,70?,71+,72+,73+,74+,84-,85-,86-,87-,138?,139?,140?;/m11./s1
InChIKeyGMSZBPDPDHINNP-KJTNCFITSA-N
XLogP24.87
TPSA1043.66 Ų
H-Bond Donors9
H-Bond Acceptors89
Rotatable Bonds123
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004627.60
LogP ≤ 524.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1089

Analyze [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxo-4-[4-(3,4,5-trimethylbenzoyl)piperazin-1-yl]butanoate
CID 167556506
N-[9-[(2R,3S,5R)-5-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-(deuteriomethyl)-4-fluorooxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-methoxyoxolan-2-yl]purin-6-yl]benzamide;tritiooxymethane
CID 158904069
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
N-[1-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(3-hydroxypropoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;N-[9-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(3-hydroxypropoxy)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[9-[(2R,3R,4R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-3-(3-hydroxypropoxy)oxolan-2-yl]purin-6-yl]benzamide;tris(tritiooxymethane)
CID 158574823
N-[1-[(2R,3R,4R,5S)-5-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide;methane
CID 158239272
N-[9-[(2R,3R,4R,5R)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethyl-3-methoxyoxolan-2-yl]-2-fluoropurin-6-yl]benzamide
CID 158314216
N-[9-[4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-5-ethyloxolan-2-yl]purin-6-yl]benzamide
CID 58312284
[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-5-(4-benzamidopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-3-yl]oxy-hydroxy-oxophosphanium;[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 159264295
[(2R,3S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2S,3S,5R)-4-(2-methoxyethoxy)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-cyanoethyl phosphate;[(2R,3S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl] [(2R,3S,5R)-3-[2-cyanoethoxy-[[(2S,3S,5R)-4-(2-methoxyethoxy)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-4-(2-methoxyethoxy)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl 2-cyanoethyl phosphate
CID 167653391
[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-ethyl-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-isocyanoethyl phosphate
CID 167615518
[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[4-(3,4,5-trioctadecoxybenzoyl)piperazine-1-carbonyl]benzoate
CID 170536464
N-[9-[(2R,3S,5S)-5-[[[(2R,4S,5R)-2-(deuteriomethyl)-4-methoxy-5-[2-(2-methylpropyl)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-3-methoxy-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 160585896

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 167575726) is [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is [C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@@H](OCCOC)C1OP(=S)(OCC[N+]#[C-])OC[C@H]1O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@@H](OCCOC)C1O)OC1[C@@H](COP(=S)(OCC[N+]#[C-])OC2[C@@H](CC)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H]2OCCOC)O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC.[C-]#[N+]CCOP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OC1[C@@H](COP(=S)(OCC[N+]#[C-])OC2[C@@H](COP(=O)(OCC[N+]#[C-])OC3[C@@H](COP(=S)(OCC[N+]#[C-])OC4[C@@H](CC)O[C@@H](n5cnc6c(NC(=O)c7ccccc7)ncnc65)[C@H]4OCCOC)O[C@@H](n4cc(C)c(NC(=O)c5ccccc5)nc4=O)[C@H]3OCCOC)O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@H]2OCCOC)O[C@@H](n2cc(C)c(NC(=O)c3ccccc3)nc2=O)[C@H]1OCCOC)N(C(C)C)C(C)C.
What is the InChIKey of [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GMSZBPDPDHINNP-KJTNCFITSA-N. The full InChI is InChI=1S/C99H123N19O31P4S2.C90H106N17O30P3S2.C15H32N3OP/c1-17-71-77(81(132-51-47-128-14)96(142-71)117-61-106-75-87(104-60-105-88(75)117)110-92(122)70-36-28-21-29-37-70)148-152(154,137-44-40-102-11)141-59-74-78(82(133-52-48-129-15)94(145-74)115-55-65(7)85(112-98(115)124)108-90(120)68-32-24-19-25-33-68)147-151(126,136-43-39-101-10)139-57-73-79(83(134-53-49-130-16)95(144-73)116-56-66(8)86(113-99(116)125)109-91(121)69-34-26-20-27-35-69)149-153(155,138-45-41-103-12)140-58-72-76(146-150(135-42-38-100-9)118(62(2)3)63(4)5)80(131-50-46-127-13)93(143-72)114-54-64(6)84(111-97(114)123)107-89(119)67-30-22-18-23-31-67;1-12-62-68(72(122-44-40-118-9)87(131-62)107-54-96-66-78(94-53-95-79(66)107)100-83(112)61-31-23-16-24-32-61)136-140(142,127-38-35-93-7)130-52-65-69(73(123-45-41-119-10)85(134-65)105-48-56(3)76(102-89(105)114)98-81(110)59-27-19-14-20-28-59)135-138(116,125-36-33-91-5)128-51-64-70(74(124-46-42-120-11)86(133-64)106-49-57(4)77(103-90(106)115)99-82(111)60-29-21-15-22-30-60)137-139(141,126-37-34-92-6)129-50-63-67(108)71(121-43-39-117-8)84(132-63)104-47-55(2)75(101-88(104)113)97-80(109)58-25-17-13-18-26-58;1-12(2)17(13(3)4)20(19-11-10-16-9)18(14(5)6)15(7)8/h18-37,54-56,60-63,71-74,76-83,93-96H,17,38-53,57-59H2,1-8,13-16H3,(H,104,105,110,122)(H,107,111,119,123)(H,108,112,120,124)(H,109,113,121,125);13-32,47-49,53-54,62-65,67-74,84-87,108H,12,33-46,50-52H2,1-4,8-11H3,(H,94,95,100,112)(H,97,101,109,113)(H,98,102,110,114)(H,99,103,111,115);12-15H,10-11H2,1-8H3/t71-,72-,73-,74-,76?,77?,78?,79?,80+,81+,82+,83+,93-,94-,95-,96-,150?,151?,152?,153?;62-,63-,64-,65-,67?,68?,69?,70?,71+,72+,73+,74+,84-,85-,86-,87-,138?,139?,140?;/m11./s1.
What are the key properties of [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 4627.60 g/mol, XLogP of 24.87, 123 rotatable bonds, 9 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-(2-isocyanoethoxy)phosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methyl [(2R,4S,5R)-5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-(2-methoxyethoxy)oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl] 2-isocyanoethyl phosphate;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 167575726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).