CID 16130290
T30658
Structural Information
- Molecular Formula
- C228H298N69O151P24
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)O)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C228H297N69O151P24/c1-96-58-286(220(321)265-197(96)299)177-46-106(130(403-177)67-378-449(330)331)426-451(334,335)380-69-131-107(35-166(404-131)275-23-11-154(230)252-209(275)310)429-455(342,343)396-85-147-124(53-184(420-147)293-65-103(8)204(306)272-227(293)328)444-468(368,369)398-87-149-123(52-183(422-149)292-64-102(7)203(305)271-226(292)327)443-467(366,367)383-72-134-108(36-167(407-134)276-24-12-155(231)253-210(276)311)427-452(336,337)381-70-132-110(38-169(405-132)278-26-14-157(233)255-212(278)313)430-456(344,345)392-81-143-119(48-179(416-143)288-60-98(3)199(301)267-222(288)323)439-464(360,361)385-74-136-112(40-171(409-136)280-28-16-159(235)257-214(280)315)432-457(346,347)393-82-144-120(49-180(417-144)289-61-99(4)200(302)268-223(289)324)440-465(362,363)386-75-137-113(41-172(410-137)281-29-17-160(236)258-215(281)316)433-458(348,349)394-83-145-121(50-181(418-145)290-62-100(5)201(303)269-224(290)325)441-466(364,365)387-76-138-114(42-173(411-138)282-30-18-161(237)259-216(282)317)434-459(350,351)397-86-148-125(54-185(421-148)294-66-104(9)205(307)273-228(294)329)445-469(370,371)400-89-151-127(56-187(424-151)296-94-249-190-193(242)245-92-247-195(190)296)447-471(374,375)388-77-139-109(37-168(412-139)277-25-13-156(232)254-211(277)312)428-453(338,339)382-71-133-116(44-175(406-133)284-32-20-163(239)261-218(284)319)436-461(354,355)399-88-150-126(55-186(423-150)295-93-248-189-192(241)244-91-246-194(189)295)446-470(372,373)389-78-140-117(45-176(413-140)285-33-21-164(240)262-219(285)320)437-462(356,357)401-90-152-128(57-188(425-152)297-95-250-191-196(297)263-207(243)264-206(191)308)448-472(376,377)390-79-141-115(43-174(414-141)283-31-19-162(238)260-217(283)318)435-460(352,353)395-84-146-122(51-182(419-146)291-63-101(6)202(304)270-225(291)326)442-463(358,359)384-73-135-111(39-170(408-135)279-27-15-158(234)256-213(279)314)431-454(340,341)391-80-142-118(47-178(415-142)287-59-97(2)198(300)266-221(287)322)438-450(332,333)379-68-129-105(298)34-165(402-129)274-22-10-153(229)251-208(274)309/h10-33,58-66,91-95,105-152,165-188,298H,34-57,67-90H2,1-9H3,(H63-,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,251,252,253,254,255,256,257,258,259,260,261,262,263,264,265,266,267,268,269,270,271,272,273,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,324,325,326,327,328,329,330,331,332,333,334,335,336,337,338,339,340,341,342,343,344,345,346,347,348,349,350,351,352,353,354,355,356,357,358,359,360,361,362,363,364,365,366,367,368,369,370,371,372,373,374,375,376,377)/p+1
- InChIKey
- IXMBTNYXROFCMB-UHFFFAOYSA-O
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 7162.1538 | 311.5 |
| [M+Na]+ | 7184.1357 | 311.5 |
| [M-H]- | 7160.1392 | 311.5 |
| [M+NH4]+ | 7179.1803 | 311.5 |
| [M+K]+ | 7200.1097 | 311.5 |
| [M+H-H2O]+ | 7144.1438 | 311.5 |
| [M+HCOO]- | 7206.1447 | 311.5 |
| [M+CH3COO]- | 7220.1604 | 311.5 |
| [M+Na-2H]- | 7182.1212 | 311.5 |
| [M]+ | 7161.1460 | 311.5 |
| [M]- | 7161.1470 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.