Structural Information

Molecular Formula
C252H337N84O166P27
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(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)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O
InChI
InChI=1S/C252H337N84O166P27/c253-169-1-29-309(225(339)281-169)197-57-113(338)142(449-197)86-421-503(367,368)477-115-59-199(311-31-3-171(255)283-227(311)341)451-144(115)88-423-505(371,372)479-117-61-201(313-33-5-173(257)285-229(313)343)453-146(117)90-425-507(375,376)481-119-63-203(315-35-7-175(259)287-231(315)345)455-148(119)92-427-509(379,380)483-121-65-205(317-37-9-177(261)289-233(317)347)457-150(121)94-429-511(383,384)485-123-67-207(319-39-11-179(263)291-235(319)349)459-152(123)96-431-513(387,388)487-125-69-209(321-41-13-181(265)293-237(321)351)461-154(125)98-433-515(391,392)489-127-71-211(323-43-15-183(267)295-239(323)353)463-156(127)100-435-517(395,396)491-129-73-213(325-45-17-185(269)297-241(325)355)465-158(129)102-437-519(399,400)493-131-75-215(327-47-19-187(271)299-243(327)357)467-160(131)104-439-521(403,404)495-133-77-217(329-49-21-189(273)301-245(329)359)469-162(133)106-441-523(407,408)497-135-79-219(331-51-23-191(275)303-247(331)361)471-164(135)108-443-525(411,412)499-137-81-221(333-53-25-193(277)305-249(333)363)473-166(137)110-445-527(415,416)501-139-83-223(335-55-27-195(279)307-251(335)365)475-168(139)112-447-529(419,420)502-140-84-224(336-56-28-196(280)308-252(336)366)474-167(140)111-446-528(417,418)500-138-82-222(334-54-26-194(278)306-250(334)364)472-165(138)109-444-526(413,414)498-136-80-220(332-52-24-192(276)304-248(332)362)470-163(136)107-442-524(409,410)496-134-78-218(330-50-22-190(274)302-246(330)360)468-161(134)105-440-522(405,406)494-132-76-216(328-48-20-188(272)300-244(328)358)466-159(132)103-438-520(401,402)492-130-74-214(326-46-18-186(270)298-242(326)356)464-157(130)101-436-518(397,398)490-128-72-212(324-44-16-184(268)296-240(324)354)462-155(128)99-434-516(393,394)488-126-70-210(322-42-14-182(266)294-238(322)352)460-153(126)97-432-514(389,390)486-124-68-208(320-40-12-180(264)292-236(320)350)458-151(124)95-430-512(385,386)484-122-66-206(318-38-10-178(262)290-234(318)348)456-149(122)93-428-510(381,382)482-120-64-204(316-36-8-176(260)288-232(316)346)454-147(120)91-426-508(377,378)480-118-62-202(314-34-6-174(258)286-230(314)344)452-145(118)89-424-506(373,374)478-116-60-200(312-32-4-172(256)284-228(312)342)450-143(116)87-422-504(369,370)476-114-58-198(448-141(114)85-337)310-30-2-170(254)282-226(310)340/h1-56,113-168,197-224,337-338H,57-112H2,(H,367,368)(H,369,370)(H,371,372)(H,373,374)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H2,253,281,339)(H2,254,282,340)(H2,255,283,341)(H2,256,284,342)(H2,257,285,343)(H2,258,286,344)(H2,259,287,345)(H2,260,288,346)(H2,261,289,347)(H2,262,290,348)(H2,263,291,349)(H2,264,292,350)(H2,265,293,351)(H2,266,294,352)(H2,267,295,353)(H2,268,296,354)(H2,269,297,355)(H2,270,298,356)(H2,271,299,357)(H2,272,300,358)(H2,273,301,359)(H2,274,302,360)(H2,275,303,361)(H2,276,304,362)(H2,277,305,363)(H2,278,306,364)(H2,279,307,365)(H2,280,308,366)
InChIKey
IMCQKQGWFCDPLU-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-[[[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]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

85
Patents

8031.343 Da
Monoisotopic Mass

-64.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 8032.3503 311.5
[M+Na]+ 8054.3322 311.5
[M-H]- 8030.3357 311.5
[M+NH4]+ 8049.3768 311.5
[M+K]+ 8070.3062 311.5
[M+H-H2O]+ 8014.3403 311.5
[M+HCOO]- 8076.3412 311.5
[M+CH3COO]- 8090.3569 311.5
[M+Na-2H]- 8052.3177 311.5
[M]+ 8031.3425 311.5
[M]- 8031.3435 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.