4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C120H196N27O38P7S7 — CID 153141421

IUPAC4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESC=C1N=C(N)C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2CO)O1
InChIInChI=1S/C120H196N27O38P7S7/c1-12-16-20-24-28-32-58-157-186(193,164-74-91-82(149)65-106(172-91)140-50-39-98(121)129-81(140)5)180-84-67-108(142-52-41-100(123)131-115(142)151)174-93(84)76-166-188(195,159-60-34-30-26-22-18-14-3)182-86-69-110(144-54-43-102(125)133-117(144)153)176-95(86)78-168-190(197,161-62-36-47-137(6)7)184-88-71-112(146-56-45-104(127)135-119(146)155)178-97(88)80-170-192(199,163-64-38-49-139(10)11)185-89-72-113(147-57-46-105(128)136-120(147)156)177-96(89)79-169-191(198,162-63-37-48-138(8)9)183-87-70-111(145-55-44-103(126)134-118(145)154)175-94(87)77-167-189(196,160-61-35-31-27-23-19-15-4)181-85-68-109(143-53-42-101(124)132-116(143)152)173-92(85)75-165-187(194,158-59-33-29-25-21-17-13-2)179-83-66-107(171-90(83)73-148)141-51-40-99(122)130-114(141)150/h39-46,50-57,82-97,106-113,148-149H,5,12-38,47-49,58-80H2,1-4,6-11H3,(H2,121,129)(H2,122,130,150)(H2,123,131,151)(H2,124,132,152)(H2,125,133,153)(H2,126,134,154)(H2,127,135,155)(H2,128,136,156)/t82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,106-,107-,108-,109-,110-,111-,112-,113-,186?,187?,188?,189?,190?,191?,192?/m1/s1
InChIKeyVYRUPCZGYKKHSC-XVDUCLLDSA-N
MW3066.33 g/mol
LogP13.80
Rot. Bonds91

About 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 153141421) has the molecular formula C120H196N27O38P7S7 and a molecular weight of 3066.33 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID153141421
Molecular FormulaC120H196N27O38P7S7
Molecular Weight3066.33 g/mol
Exact Mass3064.04
IUPAC Name4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESC=C1N=C(N)C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2CO)O1
InChIInChI=1S/C120H196N27O38P7S7/c1-12-16-20-24-28-32-58-157-186(193,164-74-91-82(149)65-106(172-91)140-50-39-98(121)129-81(140)5)180-84-67-108(142-52-41-100(123)131-115(142)151)174-93(84)76-166-188(195,159-60-34-30-26-22-18-14-3)182-86-69-110(144-54-43-102(125)133-117(144)153)176-95(86)78-168-190(197,161-62-36-47-137(6)7)184-88-71-112(146-56-45-104(127)135-119(146)155)178-97(88)80-170-192(199,163-64-38-49-139(10)11)185-89-72-113(147-57-46-105(128)136-120(147)156)177-96(89)79-169-191(198,162-63-37-48-138(8)9)183-87-70-111(145-55-44-103(126)134-118(145)154)175-94(87)77-167-189(196,160-61-35-31-27-23-19-15-4)181-85-68-109(143-53-42-101(124)132-116(143)152)173-92(85)75-165-187(194,158-59-33-29-25-21-17-13-2)179-83-66-107(171-90(83)73-148)141-51-40-99(122)130-114(141)150/h39-46,50-57,82-97,106-113,148-149H,5,12-38,47-49,58-80H2,1-4,6-11H3,(H2,121,129)(H2,122,130,150)(H2,123,131,151)(H2,124,132,152)(H2,125,133,153)(H2,126,134,154)(H2,127,135,155)(H2,128,136,156)/t82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,106-,107-,108-,109-,110-,111-,112-,113-,186?,187?,188?,189?,190?,191?,192?/m1/s1
InChIKeyVYRUPCZGYKKHSC-XVDUCLLDSA-N
XLogP13.80
TPSA785.84 Ų
H-Bond Donors10
H-Bond Acceptors72
Rotatable Bonds91
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003066.33
LogP ≤ 513.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1072

Computed Properties (RDKit)

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

Analyze 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-[3-(dimethylamino)propoxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159266533
1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 146033355
1-[(2R,5R)-5-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59011161
1-[(2R,5R)-5-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 89060176
[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 4523982
calcium [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[butoxy(oxido)phosphoryl]oxymethyl]oxolan-3-yl] butyl phosphate
CID 157083487
4-amino-1-[(2R,5R)-4-pentoxy-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 69432831
4-amino-1-[(2R,4S,5R)-5-[[amino(hydroxy)phosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 67722276
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(6-hydroxyhexoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22844691
[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
CID 16741133

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 153141421) is 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is C=C1N=C(N)C=CN1[C@H]1C[C@@H](O)[C@@H](COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2CO)O1.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is VYRUPCZGYKKHSC-XVDUCLLDSA-N. The full InChI is InChI=1S/C120H196N27O38P7S7/c1-12-16-20-24-28-32-58-157-186(193,164-74-91-82(149)65-106(172-91)140-50-39-98(121)129-81(140)5)180-84-67-108(142-52-41-100(123)131-115(142)151)174-93(84)76-166-188(195,159-60-34-30-26-22-18-14-3)182-86-69-110(144-54-43-102(125)133-117(144)153)176-95(86)78-168-190(197,161-62-36-47-137(6)7)184-88-71-112(146-56-45-104(127)135-119(146)155)178-97(88)80-170-192(199,163-64-38-49-139(10)11)185-89-72-113(147-57-46-105(128)136-120(147)156)177-96(89)79-169-191(198,162-63-37-48-138(8)9)183-87-70-111(145-55-44-103(126)134-118(145)154)175-94(87)77-167-189(196,160-61-35-31-27-23-19-15-4)181-85-68-109(143-53-42-101(124)132-116(143)152)173-92(85)75-165-187(194,158-59-33-29-25-21-17-13-2)179-83-66-107(171-90(83)73-148)141-51-40-99(122)130-114(141)150/h39-46,50-57,82-97,106-113,148-149H,5,12-38,47-49,58-80H2,1-4,6-11H3,(H2,121,129)(H2,122,130,150)(H2,123,131,151)(H2,124,132,152)(H2,125,133,153)(H2,126,134,154)(H2,127,135,155)(H2,128,136,156)/t82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,106-,107-,108-,109-,110-,111-,112-,113-,186?,187?,188?,189?,190?,191?,192?/m1/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 3066.33 g/mol, XLogP of 13.80, 91 rotatable bonds, 10 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-4-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-3-[[(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[3-(dimethylamino)propoxy]phosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-octoxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 153141421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).