L14m3

Structural Information

Molecular Formula

C₁₄₅H₁₈₁N₄₈O₉₈P₁₃

SMILES

COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OC3C(OC(C3OC)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)OC6C7C(OC6(CO7)COP(=O)(O)OC8C(OC(C8OC)N9C=CC(=O)NC9=O)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C2C(OC1(CO2)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)CO)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=O)NC1=O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C145H181N48O98P13/c1-238-84-76(199)55(266-114(84)182-23-14-67(195)170-136(182)208)28-252-292(212,213)280-81-59(270-119(89(81)243-6)191-51-162-73-108(191)174-128(153)177-111(73)200)32-256-297(222,223)291-103-97-127(190-50-161-72-105(152)157-48-159-107(72)190)278-145(103,40-251-97)46-264-302(232,233)283-80-58(269-118(88(80)242-5)184-25-16-69(197)172-138(184)210)31-255-294(216,217)287-99-93-123(186-21-12-65(149)168-134(186)206)275-142(99,37-248-93)43-262-303(234,235)284-82-60(271-120(90(82)244-7)192-52-163-74-109(192)175-129(154)178-112(74)201)33-257-296(220,221)288-100-94-124(187-22-13-66(150)169-135(187)207)273-140(100,35-246-94)41-260-300(228,229)281-78-57(268-116(86(78)240-3)180-18-9-62(146)165-131(180)203)30-254-295(218,219)289-101-95-125(188-26-17-70(198)173-139(188)211)276-143(101,38-249-95)44-261-301(230,231)282-79-56(267-117(87(79)241-4)181-19-10-63(147)166-132(181)204)29-253-293(214,215)286-98-92-122(185-20-11-64(148)167-133(185)205)274-141(98,36-247-92)42-263-304(236,237)285-83-61(272-121(91(83)245-8)193-53-164-75-110(193)176-130(155)179-113(75)202)34-258-298(224,225)290-102-96-126(189-49-160-71-104(151)156-47-158-106(71)189)277-144(102,39-250-96)45-259-299(226,227)279-77-54(27-194)265-115(85(77)239-2)183-24-15-68(196)171-137(183)209/h9-26,47-61,76-103,114-127,194,199H,27-46H2,1-8H3,(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H2,146,165,203)(H2,147,166,204)(H2,148,167,205)(H2,149,168,206)(H2,150,169,207)(H2,151,156,158)(H2,152,157,159)(H,170,195,208)(H,171,196,209)(H,172,197,210)(H,173,198,211)(H3,153,174,177,200)(H3,154,175,178,201)(H3,155,176,179,202)

InChIKey

MXUVDUBNYIXHOR-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[1-[[[2-[[[1-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[1-[[[2-[[[1-[[[2-[[[1-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[3-(6-aminopurin-9-yl)-1-[[[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(4-amino-2-oxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16186183