CID 16130130

(da)20-[ddamp]

Structural Information

Molecular Formula
C210H273N45O142P20
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1CCC(O1)N1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C210H273N45O142P20/c1-86-43-235(191(277)215-171(86)257)148-23-107(127(63-256)358-148)378-399(299,300)338-65-129-109(25-150(360-129)237-45-88(3)173(259)217-193(237)279)380-401(303,304)340-67-131-111(27-152(362-131)239-47-90(5)175(261)219-195(239)281)382-403(307,308)342-69-133-113(29-154(364-133)241-49-92(7)177(263)221-197(241)283)384-405(311,312)344-71-135-115(31-156(366-135)243-51-94(9)179(265)223-199(243)285)386-407(315,316)346-73-137-117(33-158(368-137)245-53-96(11)181(267)225-201(245)287)388-409(319,320)348-75-139-119(35-160(370-139)247-55-98(13)183(269)227-203(247)289)390-411(323,324)350-77-141-121(37-162(372-141)249-57-100(15)185(271)229-205(249)291)392-413(327,328)352-79-143-123(39-164(374-143)251-59-102(17)187(273)231-207(251)293)394-415(331,332)354-81-145-125(41-166(376-145)253-61-104(19)189(275)233-209(253)295)396-417(335,336)356-83-146-126(42-167(377-146)254-62-105(20)190(276)234-210(254)296)397-416(333,334)355-82-144-124(40-165(375-144)252-60-103(18)188(274)232-208(252)294)395-414(329,330)353-80-142-122(38-163(373-142)250-58-101(16)186(272)230-206(250)292)393-412(325,326)351-78-140-120(36-161(371-140)248-56-99(14)184(270)228-204(248)290)391-410(321,322)349-76-138-118(34-159(369-138)246-54-97(12)182(268)226-202(246)288)389-408(317,318)347-74-136-116(32-157(367-136)244-52-95(10)180(266)224-200(244)286)387-406(313,314)345-72-134-114(30-155(365-134)242-50-93(8)178(264)222-198(242)284)385-404(309,310)343-70-132-112(28-153(363-132)240-48-91(6)176(262)220-196(240)282)383-402(305,306)341-68-130-110(26-151(361-130)238-46-89(4)174(260)218-194(238)280)381-400(301,302)339-66-128-108(24-149(359-128)236-44-87(2)172(258)216-192(236)278)379-398(297,298)337-64-106-21-22-147(357-106)255-85-214-168-169(211)212-84-213-170(168)255/h43-62,84-85,106-167,256H,21-42,63-83H2,1-20H3,(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H2,211,212,213)(H,215,257,277)(H,216,258,278)(H,217,259,279)(H,218,260,280)(H,219,261,281)(H,220,262,282)(H,221,263,283)(H,222,264,284)(H,223,265,285)(H,224,266,286)(H,225,267,287)(H,226,268,288)(H,227,269,289)(H,228,270,290)(H,229,271,291)(H,230,272,292)(H,231,273,293)(H,232,274,294)(H,233,275,295)(H,234,276,296)
InChIKey
SYVSVODBBFXMLM-UHFFFAOYSA-N
Compound name
[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6316.028 Da
Monoisotopic Mass

-32.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6317.0353 311.6
[M+Na]+ 6339.0172 311.6
[M-H]- 6315.0207 311.6
[M+NH4]+ 6334.0618 311.6
[M+K]+ 6354.9912 311.6
[M+H-H2O]+ 6299.0253 311.6
[M+HCOO]- 6361.0262 311.6
[M+CH3COO]- 6375.0419 311.6
[M+Na-2H]- 6337.0027 311.6
[M]+ 6316.0275 311.6
[M]- 6316.0285 311.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.