Fomivirsen | CAS No. 144245-52-3

SP(=O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C=NC3C(NC(N)=NC2=3)=O)O1)OP(O)(OCC1C(CC(N2C(N=C(C=C2)N)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(N=C(C=C2)N)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(N=C(C=C2)N)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(N=C(C=C2)N)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C(NC(C(C)=C2)=O)=O)O1)OP(O)(OCC1C(CC(N2C=NC3C(NC(N)=NC2=3)=O)O1)OP(O)(OCC1C(CC(N2C(N=C(C=C2)N)=O)O1)OP(O)(OCC1C(CC(N2C=NC3C(NC(N)=NC2=3)=O)O1)O)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)=S)OC1CC(N2C=NC3C(NC(N)=NC2=3)=O)OC1COP(O)(OC1CC(N(C(/N=C(\C=C)/N)=O)C)OC1COP(O)(OC1C(CO)OC(C1)N1C=NC2C(NC(N)=NC1=2)=O)=S)=S

InChI

InChI=1S/C205H267N63O114P20S20/c1-13-133(206)222-190(286)248(12)139-25-93(114(344-139)57-323-384(303,404)363-92-26-156(342-112(92)55-269)265-77-218-161-166(265)229-186(213)234-181(161)282)364-385(304,405)339-73-130-109(42-157(360-130)266-78-219-162-167(266)230-187(214)235-182(162)283)382-402(321,422)338-72-129-106(39-153(359-129)261-52-88(9)177(278)245-203(261)299)377-397(316,417)335-69-126-105(38-152(356-126)260-51-87(8)176(277)244-202(260)298)376-396(315,416)337-71-128-108(41-155(358-128)263-54-90(11)179(280)247-205(263)301)379-399(318,419)341-75-132-111(44-159(362-132)268-80-221-164-169(268)232-189(216)237-184(164)285)381-401(320,421)328-62-119-98(31-145(349-119)253-23-18-138(211)227-195(253)291)369-389(308,409)329-63-120-99(32-146(350-120)254-45-81(2)170(271)238-196(254)292)370-390(309,410)324-59-116-95(28-142(346-116)250-20-15-135(208)224-192(250)288)366-386(305,406)330-64-121-102(35-149(351-121)257-48-84(5)173(274)241-199(257)295)373-393(312,413)333-67-124-100(33-147(354-124)255-46-82(3)171(272)239-197(255)293)371-391(310,411)325-60-117-96(29-143(347-117)251-21-16-136(209)225-193(251)289)367-387(306,407)331-65-122-103(36-150(352-122)258-49-85(6)174(275)242-200(258)296)374-394(313,414)334-68-125-101(34-148(355-125)256-47-83(4)172(273)240-198(256)294)372-392(311,412)326-61-118-97(30-144(348-118)252-22-17-137(210)226-194(252)290)368-388(307,408)332-66-123-104(37-151(353-123)259-50-86(7)175(276)243-201(259)297)375-395(314,415)336-70-127-107(40-154(357-127)262-53-89(10)178(279)246-204(262)300)378-398(317,418)340-74-131-110(43-158(361-131)267-79-220-163-168(267)231-188(215)236-183(163)284)380-400(319,420)327-58-115-94(27-141(345-115)249-19-14-134(207)223-191(249)287)365-383(302,403)322-56-113-91(270)24-140(343-113)264-76-217-160-165(264)228-185(212)233-180(160)281/h13-23,45-54,76-80,91-132,139-159,269-270H,1,24-44,55-75H2,2-12H3,(H,302,403)(H,303,404)(H,304,405)(H,305,406)(H,306,407)(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(H,313,414)(H,314,415)(H,315,416)(H,316,417)(H,317,418)(H,318,419)(H,319,420)(H,320,421)(H,321,422)(H2,206,222,286)(H2,207,223,287)(H2,208,224,288)(H2,209,225,289)(H2,210,226,290)(H2,211,227,291)(H,238,271,292)(H,239,272,293)(H,240,273,294)(H,241,274,295)(H,242,275,296)(H,243,276,297)(H,244,277,298)(H,245,278,299)(H,246,279,300)(H,247,280,301)(H3,212,228,233,281)(H3,213,229,234,282)(H3,214,230,235,283)(H3,215,231,236,284)(H3,216,232,237,285)

InChIKey

XCWFZHPEARLXJI-UHFFFAOYSA-N

LogP

15.76190

Topological Polar Surface Area

2364.720000000001 Ų

Hydrogen Bond Donor/Acceptor

58 / 177