CID 16130128

(dt)20-[rump]2

Structural Information

Molecular Formula
C218H283N44O154P21
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)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O
InChI
InChI=1S/C218H283N44O154P21/c1-87-45-243(199(291)221-175(87)269)151-25-107(127(65-263)374-151)396-417(311,312)353-66-128-108(26-152(375-128)244-46-88(2)176(270)222-200(244)292)397-418(313,314)354-67-129-109(27-153(376-129)245-47-89(3)177(271)223-201(245)293)398-419(315,316)355-68-130-110(28-154(377-130)246-48-90(4)178(272)224-202(246)294)399-420(317,318)356-69-131-111(29-155(378-131)247-49-91(5)179(273)225-203(247)295)400-421(319,320)357-70-132-112(30-156(379-132)248-50-92(6)180(274)226-204(248)296)401-422(321,322)358-71-133-113(31-157(380-133)249-51-93(7)181(275)227-205(249)297)402-423(323,324)359-72-134-114(32-158(381-134)250-52-94(8)182(276)228-206(250)298)403-424(325,326)360-73-135-115(33-159(382-135)251-53-95(9)183(277)229-207(251)299)404-425(327,328)361-74-136-116(34-160(383-136)252-54-96(10)184(278)230-208(252)300)405-426(329,330)362-75-137-117(35-161(384-137)253-55-97(11)185(279)231-209(253)301)406-427(331,332)363-76-138-118(36-162(385-138)254-56-98(12)186(280)232-210(254)302)407-428(333,334)364-77-139-119(37-163(386-139)255-57-99(13)187(281)233-211(255)303)408-429(335,336)365-78-140-120(38-164(387-140)256-58-100(14)188(282)234-212(256)304)409-430(337,338)366-79-141-121(39-165(388-141)257-59-101(15)189(283)235-213(257)305)410-431(339,340)367-80-142-122(40-166(389-142)258-60-102(16)190(284)236-214(258)306)411-432(341,342)368-81-143-123(41-167(390-143)259-61-103(17)191(285)237-215(259)307)412-433(343,344)369-82-144-124(42-168(391-144)260-62-104(18)192(286)238-216(260)308)413-434(345,346)370-83-145-125(43-169(392-145)261-63-105(19)193(287)239-217(261)309)414-435(347,348)371-84-146-126(44-170(393-146)262-64-106(20)194(288)240-218(262)310)415-436(349,350)373-86-148-174(173(268)196(395-148)242-24-22-150(265)220-198(242)290)416-437(351,352)372-85-147-171(266)172(267)195(394-147)241-23-21-149(264)219-197(241)289/h21-24,45-64,107-148,151-174,195-196,263,266-268H,25-44,65-86H2,1-20H3,(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)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,219,264,289)(H,220,265,290)(H,221,269,291)(H,222,270,292)(H,223,271,293)(H,224,272,294)(H,225,273,295)(H,226,274,296)(H,227,275,297)(H,228,276,298)(H,229,277,299)(H,230,278,300)(H,231,279,301)(H,232,280,302)(H,233,281,303)(H,234,282,304)(H,235,283,305)(H,236,284,306)(H,237,285,307)(H,238,286,308)(H,239,287,309)(H,240,288,310)
InChIKey
NODRDYOWMXBFIK-UHFFFAOYSA-N
Compound name
[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6631.0156 Da
Monoisotopic Mass

-37.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6632.0229 311.5
[M+Na]+ 6654.0048 311.5
[M-H]- 6630.0083 311.5
[M+NH4]+ 6649.0494 311.5
[M+K]+ 6669.9788 311.5
[M+H-H2O]+ 6614.0129 311.5
[M+HCOO]- 6676.0138 311.5
[M+CH3COO]- 6690.0295 311.5
[M+Na-2H]- 6651.9903 311.5
[M]+ 6631.0151 311.6
[M]- 6631.0161 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.