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

C218H348N37O82P13S13 — CID 159266533

IUPAC1-[(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
SMILESC=C1NC(=O)C(C)=CN1[C@H]1C[C@@H](O)[C@@H](COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)O1
InChIInChI=1S/C218H348N37O82P13S13/c1-38-42-46-50-54-58-80-285-338(351,325-151-94-179(311-164(151)121-256)243-108-136(6)193(259)220-206(243)272)299-123-166-152(95-180(313-166)244-109-137(7)194(260)221-207(244)273)326-339(352,286-81-59-55-51-47-43-39-2)300-124-167-153(96-181(314-167)245-110-138(8)195(261)222-208(245)274)327-340(353,287-82-60-56-52-48-44-40-3)301-125-168-154(97-182(315-168)246-111-139(9)196(262)223-209(246)275)328-341(354,288-83-61-57-53-49-45-41-4)302-126-169-156(99-184(316-169)248-113-141(11)198(264)225-211(248)277)330-344(357,291-86-64-73-235(24)25)304-128-171-158(101-186(318-171)250-115-143(13)200(266)227-213(250)279)332-346(359,293-88-66-75-237(28)29)306-130-173-160(103-188(320-173)252-117-145(15)202(268)229-215(252)281)334-348(361,295-90-68-77-239(32)33)308-132-175-162(105-190(322-175)254-119-147(17)204(270)231-217(254)283)336-350(363,297-92-70-79-241(36)37)310-134-177-163(106-191(324-177)255-120-148(18)205(271)232-218(255)284)337-349(362,296-91-69-78-240(34)35)309-133-176-161(104-189(323-176)253-118-146(16)203(269)230-216(253)282)335-347(360,294-89-67-76-238(30)31)307-131-174-159(102-187(321-174)251-116-144(14)201(267)228-214(251)280)333-345(358,292-87-65-74-236(26)27)305-129-172-157(100-185(319-172)249-114-142(12)199(265)226-212(249)278)331-343(356,290-85-63-72-234(22)23)303-127-170-155(98-183(317-170)247-112-140(10)197(263)224-210(247)276)329-342(355,289-84-62-71-233(20)21)298-122-165-150(257)93-178(312-165)242-107-135(5)192(258)219-149(242)19/h107-120,150-191,256-257H,19,38-106,121-134H2,1-18,20-37H3,(H,219,258)(H,220,259,272)(H,221,260,273)(H,222,261,274)(H,223,262,275)(H,224,263,276)(H,225,264,277)(H,226,265,278)(H,227,266,279)(H,228,267,280)(H,229,268,281)(H,230,269,282)(H,231,270,283)(H,232,271,284)/t150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,338?,339?,340?,341?,342?,343?,344?,345?,346?,347?,348?,349?,350?/m1/s1
InChIKeyKXEDBGLQXQNFPQ-AMYWUYDXSA-N
MW5618.89 g/mol
LogP18.53
Rot. Bonds157

About 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

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 (PubChem CID 159266533) has the molecular formula C218H348N37O82P13S13 and a molecular weight of 5618.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID159266533
Molecular FormulaC218H348N37O82P13S13
Molecular Weight5618.89 g/mol
Exact Mass5614.72
IUPAC Name1-[(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
SMILESC=C1NC(=O)C(C)=CN1[C@H]1C[C@@H](O)[C@@H](COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)O1
InChIInChI=1S/C218H348N37O82P13S13/c1-38-42-46-50-54-58-80-285-338(351,325-151-94-179(311-164(151)121-256)243-108-136(6)193(259)220-206(243)272)299-123-166-152(95-180(313-166)244-109-137(7)194(260)221-207(244)273)326-339(352,286-81-59-55-51-47-43-39-2)300-124-167-153(96-181(314-167)245-110-138(8)195(261)222-208(245)274)327-340(353,287-82-60-56-52-48-44-40-3)301-125-168-154(97-182(315-168)246-111-139(9)196(262)223-209(246)275)328-341(354,288-83-61-57-53-49-45-41-4)302-126-169-156(99-184(316-169)248-113-141(11)198(264)225-211(248)277)330-344(357,291-86-64-73-235(24)25)304-128-171-158(101-186(318-171)250-115-143(13)200(266)227-213(250)279)332-346(359,293-88-66-75-237(28)29)306-130-173-160(103-188(320-173)252-117-145(15)202(268)229-215(252)281)334-348(361,295-90-68-77-239(32)33)308-132-175-162(105-190(322-175)254-119-147(17)204(270)231-217(254)283)336-350(363,297-92-70-79-241(36)37)310-134-177-163(106-191(324-177)255-120-148(18)205(271)232-218(255)284)337-349(362,296-91-69-78-240(34)35)309-133-176-161(104-189(323-176)253-118-146(16)203(269)230-216(253)282)335-347(360,294-89-67-76-238(30)31)307-131-174-159(102-187(321-174)251-116-144(14)201(267)228-214(251)280)333-345(358,292-87-65-74-236(26)27)305-129-172-157(100-185(319-172)249-114-142(12)199(265)226-212(249)278)331-343(356,290-85-63-72-234(22)23)303-127-170-155(98-183(317-170)247-112-140(10)197(263)224-210(247)276)329-342(355,289-84-62-71-233(20)21)298-122-165-150(257)93-178(312-165)242-107-135(5)192(258)219-149(242)19/h107-120,150-191,256-257H,19,38-106,121-134H2,1-18,20-37H3,(H,219,258)(H,220,259,272)(H,221,260,273)(H,222,261,274)(H,223,262,275)(H,224,263,276)(H,225,264,277)(H,226,265,278)(H,227,266,279)(H,228,267,280)(H,229,268,281)(H,230,269,282)(H,231,270,283)(H,232,271,284)/t150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,338?,339?,340?,341?,342?,343?,344?,345?,346?,347?,348?,349?,350?/m1/s1
InChIKeyKXEDBGLQXQNFPQ-AMYWUYDXSA-N
XLogP18.53
TPSA1304.33 Ų
H-Bond Donors16
H-Bond Acceptors118
Rotatable Bonds157
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005618.89
LogP ≤ 518.53
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 10118

Analyze 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 with MolForge

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Related Compounds

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
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] octyl hydrogen phosphate
CID 102192256
1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;tetrabutylazanium
CID 10941796
1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10629371
[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 11967651
13-[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxytridecyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 102303042
1-[(2R,4S,5R)-5-[[butylamino-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15817362
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] pentyl hydrogen phosphate
CID 175676040
azanium [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate
CID 11124588
CID 11527490
CID 11527490
1-[(2R,4S,5R)-4-hydroxy-5-(pentadecoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102464292
[2-[[6-aminohexoxy(hydroxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 118682777

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1NC(=O)C(C)=CN1[C@H]1C[C@@H](O)[C@@H](COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCN(C)C)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=S)(OCCCCCCCC)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)O1.
What is the InChIKey of 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?
The InChIKey is KXEDBGLQXQNFPQ-AMYWUYDXSA-N. The full InChI is InChI=1S/C218H348N37O82P13S13/c1-38-42-46-50-54-58-80-285-338(351,325-151-94-179(311-164(151)121-256)243-108-136(6)193(259)220-206(243)272)299-123-166-152(95-180(313-166)244-109-137(7)194(260)221-207(244)273)326-339(352,286-81-59-55-51-47-43-39-2)300-124-167-153(96-181(314-167)245-110-138(8)195(261)222-208(245)274)327-340(353,287-82-60-56-52-48-44-40-3)301-125-168-154(97-182(315-168)246-111-139(9)196(262)223-209(246)275)328-341(354,288-83-61-57-53-49-45-41-4)302-126-169-156(99-184(316-169)248-113-141(11)198(264)225-211(248)277)330-344(357,291-86-64-73-235(24)25)304-128-171-158(101-186(318-171)250-115-143(13)200(266)227-213(250)279)332-346(359,293-88-66-75-237(28)29)306-130-173-160(103-188(320-173)252-117-145(15)202(268)229-215(252)281)334-348(361,295-90-68-77-239(32)33)308-132-175-162(105-190(322-175)254-119-147(17)204(270)231-217(254)283)336-350(363,297-92-70-79-241(36)37)310-134-177-163(106-191(324-177)255-120-148(18)205(271)232-218(255)284)337-349(362,296-91-69-78-240(34)35)309-133-176-161(104-189(323-176)253-118-146(16)203(269)230-216(253)282)335-347(360,294-89-67-76-238(30)31)307-131-174-159(102-187(321-174)251-116-144(14)201(267)228-214(251)280)333-345(358,292-87-65-74-236(26)27)305-129-172-157(100-185(319-172)249-114-142(12)199(265)226-212(249)278)331-343(356,290-85-63-72-234(22)23)303-127-170-155(98-183(317-170)247-112-140(10)197(263)224-210(247)276)329-342(355,289-84-62-71-233(20)21)298-122-165-150(257)93-178(312-165)242-107-135(5)192(258)219-149(242)19/h107-120,150-191,256-257H,19,38-106,121-134H2,1-18,20-37H3,(H,219,258)(H,220,259,272)(H,221,260,273)(H,222,261,274)(H,223,262,275)(H,224,263,276)(H,225,264,277)(H,226,265,278)(H,227,266,279)(H,228,267,280)(H,229,268,281)(H,230,269,282)(H,231,270,283)(H,232,271,284)/t150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,338?,339?,340?,341?,342?,343?,344?,345?,346?,347?,348?,349?,350?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 5618.89 g/mol, XLogP of 18.53, 157 rotatable bonds, 16 hydrogen bond donors, and 118 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159266533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).