Structural Information

Molecular Formula
C225H301N75O148P24
SMILES
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
InChI
InChI=1S/C225H301N75O148P24/c226-151-1-26-276(201(303)251-151)176-51-101(302)127(401-176)77-376-449(328,329)426-103-53-178(278-28-3-153(228)253-203(278)305)403-129(103)79-378-451(332,333)428-105-55-180(280-30-5-155(230)255-205(280)307)405-131(105)81-380-453(336,337)430-107-57-182(282-32-7-157(232)257-207(282)309)407-133(107)83-382-455(340,341)432-109-59-184(284-34-9-159(234)259-209(284)311)409-135(109)85-384-457(344,345)434-111-61-186(286-36-11-161(236)261-211(286)313)411-137(111)87-386-459(348,349)436-113-63-188(288-38-13-163(238)263-213(288)315)413-139(113)89-388-461(352,353)438-115-65-190(290-40-15-165(240)265-215(290)317)415-141(115)91-390-463(356,357)440-117-67-192(292-42-17-167(242)267-217(292)319)417-143(117)93-392-465(360,361)442-119-69-194(294-44-19-169(244)269-219(294)321)419-145(119)95-394-467(364,365)444-121-71-196(296-46-21-171(246)271-221(296)323)421-147(121)97-396-469(368,369)446-123-73-198(298-48-23-173(248)273-223(298)325)423-149(123)99-398-471(372,373)448-125-75-200(300-50-25-175(250)275-225(300)327)424-150(125)100-399-472(374,375)447-124-74-199(299-49-24-174(249)274-224(299)326)422-148(124)98-397-470(370,371)445-122-72-197(297-47-22-172(247)272-222(297)324)420-146(122)96-395-468(366,367)443-120-70-195(295-45-20-170(245)270-220(295)322)418-144(120)94-393-466(362,363)441-118-68-193(293-43-18-168(243)268-218(293)320)416-142(118)92-391-464(358,359)439-116-66-191(291-41-16-166(241)266-216(291)318)414-140(116)90-389-462(354,355)437-114-64-189(289-39-14-164(239)264-214(289)316)412-138(114)88-387-460(350,351)435-112-62-187(287-37-12-162(237)262-212(287)314)410-136(112)86-385-458(346,347)433-110-60-185(285-35-10-160(235)260-210(285)312)408-134(110)84-383-456(342,343)431-108-58-183(283-33-8-158(233)258-208(283)310)406-132(108)82-381-454(338,339)429-106-56-181(281-31-6-156(231)256-206(281)308)404-130(106)80-379-452(334,335)427-104-54-179(279-29-4-154(229)254-204(279)306)402-128(104)78-377-450(330,331)425-102-52-177(400-126(102)76-301)277-27-2-152(227)252-202(277)304/h1-50,101-150,176-200,301-302H,51-100H2,(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,366,367)(H,368,369)(H,370,371)(H,372,373)(H,374,375)(H2,226,251,303)(H2,227,252,304)(H2,228,253,305)(H2,229,254,306)(H2,230,255,307)(H2,231,256,308)(H2,232,257,309)(H2,233,258,310)(H2,234,259,311)(H2,235,260,312)(H2,236,261,313)(H2,237,262,314)(H2,238,263,315)(H2,239,264,316)(H2,240,265,317)(H2,241,266,318)(H2,242,267,319)(H2,243,268,320)(H2,244,269,321)(H2,245,270,322)(H2,246,271,323)(H2,247,272,324)(H2,248,273,325)(H2,249,274,326)(H2,250,275,327)
InChIKey
SCYXYLUFYPXOQW-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

7164.2036 Da
Monoisotopic Mass

-57.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 7165.2109 311.5
[M+Na]+ 7187.1928 311.5
[M-H]- 7163.1963 311.5
[M+NH4]+ 7182.2374 311.5
[M+K]+ 7203.1668 311.5
[M+H-H2O]+ 7147.2009 311.5
[M+HCOO]- 7209.2018 311.5
[M+CH3COO]- 7223.2175 311.5
[M+Na-2H]- 7185.1783 311.5
[M]+ 7164.2031 311.5
[M]- 7164.2041 311.5
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.