CID 16197589
5'-cacggaagggcgtcctcctt-3'
Structural Information
- Molecular Formula
- C193H246N74O102P20S20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C193H246N74O102P20S20/c1-75-39-255(190(286)244-167(75)269)126-19-79(268)99(331-126)43-312-371(292,391)358-87-27-134(256-40-76(2)168(270)245-191(256)287)339-107(87)51-319-375(296,395)354-83-23-130(251-15-8-122(197)228-186(251)282)333-101(83)45-313-373(294,393)352-81-21-128(249-13-6-120(195)226-184(249)280)335-103(81)47-315-379(300,399)359-88-28-135(257-41-77(3)169(271)246-192(257)288)340-108(88)52-320-376(297,396)355-84-24-131(252-16-9-123(198)229-187(252)283)334-102(84)46-314-374(295,394)353-82-22-129(250-14-7-121(196)227-185(250)281)336-104(82)48-316-380(301,400)360-89-29-136(258-42-78(4)170(272)247-193(258)289)341-109(89)53-321-383(304,403)365-94-34-141(263-70-220-150-162(263)233-178(205)239-172(150)274)345-113(94)57-325-377(298,397)357-86-26-133(254-18-11-125(200)231-189(254)285)338-106(86)50-318-382(303,402)364-93-33-140(262-69-219-149-161(262)232-177(204)238-171(149)273)348-116(93)60-328-388(309,408)369-98-38-145(267-74-224-154-166(267)237-182(209)243-176(154)278)350-118(98)62-330-389(310,409)368-97-37-144(266-73-223-153-165(266)236-181(208)242-175(153)277)347-115(97)59-327-385(306,405)363-92-32-139(261-68-218-148-157(203)212-65-215-160(148)261)343-111(92)55-323-384(305,404)362-91-31-138(260-67-217-147-156(202)211-64-214-159(147)260)344-112(91)56-324-386(307,406)366-96-36-143(265-72-222-152-164(265)235-180(207)241-174(152)276)349-117(96)61-329-387(308,407)367-95-35-142(264-71-221-151-163(264)234-179(206)240-173(151)275)346-114(95)58-326-378(299,398)356-85-25-132(253-17-10-124(199)230-188(253)284)337-105(85)49-317-381(302,401)361-90-30-137(259-66-216-146-155(201)210-63-213-158(146)259)342-110(90)54-322-372(293,392)351-80-20-127(248-12-5-119(194)225-183(248)279)332-100(80)44-311-370(290,291)390/h5-18,39-42,63-74,79-118,126-145,268H,19-38,43-62H2,1-4H3,(H,292,391)(H,293,392)(H,294,393)(H,295,394)(H,296,395)(H,297,396)(H,298,397)(H,299,398)(H,300,399)(H,301,400)(H,302,401)(H,303,402)(H,304,403)(H,305,404)(H,306,405)(H,307,406)(H,308,407)(H,309,408)(H,310,409)(H2,194,225,279)(H2,195,226,280)(H2,196,227,281)(H2,197,228,282)(H2,198,229,283)(H2,199,230,284)(H2,200,231,285)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,244,269,286)(H,245,270,287)(H,246,271,288)(H,247,272,289)(H2,290,291,390)(H3,204,232,238,273)(H3,205,233,239,274)(H3,206,234,240,275)(H3,207,235,241,276)(H3,208,236,242,277)(H3,209,237,243,278)
- InChIKey
- RDDAOESVQMXFRL-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6491.5576 | 311.5 |
[M+Na]+ | 6513.5395 | 311.5 |
[M-H]- | 6489.5430 | 311.5 |
[M+NH4]+ | 6508.5841 | 311.5 |
[M+K]+ | 6529.5135 | 311.5 |
[M+H-H2O]+ | 6473.5476 | 311.5 |
[M+HCOO]- | 6535.5485 | 311.5 |
[M+CH3COO]- | 6549.5642 | 311.5 |
[M+Na-2H]- | 6511.5250 | 311.5 |
[M]+ | 6490.5498 | 311.5 |
[M]- | 6490.5508 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.