CID 16186448
A a a a a a a a a a a a a a a, phosphorothioate
Structural Information
- Molecular Formula
- C150H181N75O59P14S14
- SMILES
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=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(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C150H181N75O59P14S14/c151-121-106-136(181-31-166-121)211(46-196-106)91-1-61(227)77(257-91)17-242-285(228,299)272-63-3-93(213-48-198-108-123(153)168-33-183-138(108)213)259-79(63)19-244-287(230,301)274-65-5-95(215-50-200-110-125(155)170-35-185-140(110)215)261-81(65)21-246-289(232,303)276-67-7-97(217-52-202-112-127(157)172-37-187-142(112)217)263-83(67)23-248-291(234,305)278-69-9-99(219-54-204-114-129(159)174-39-189-144(114)219)265-85(69)25-250-293(236,307)280-71-11-101(221-56-206-116-131(161)176-41-191-146(116)221)267-87(71)27-252-295(238,309)282-73-13-103(223-58-208-118-133(163)178-43-193-148(118)223)269-89(73)29-254-297(240,311)284-75-15-105(225-60-210-120-135(165)180-45-195-150(120)225)270-90(75)30-255-298(241,312)283-74-14-104(224-59-209-119-134(164)179-44-194-149(119)224)268-88(74)28-253-296(239,310)281-72-12-102(222-57-207-117-132(162)177-42-192-147(117)222)266-86(72)26-251-294(237,308)279-70-10-100(220-55-205-115-130(160)175-40-190-145(115)220)264-84(70)24-249-292(235,306)277-68-8-98(218-53-203-113-128(158)173-38-188-143(113)218)262-82(68)22-247-290(233,304)275-66-6-96(216-51-201-111-126(156)171-36-186-141(111)216)260-80(66)20-245-288(231,302)273-64-4-94(214-49-199-109-124(154)169-34-184-139(109)214)258-78(64)18-243-286(229,300)271-62-2-92(256-76(62)16-226)212-47-197-107-122(152)167-32-182-137(107)212/h31-105,226-227H,1-30H2,(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H,237,308)(H,238,309)(H,239,310)(H,240,311)(H,241,312)(H2,151,166,181)(H2,152,167,182)(H2,153,168,183)(H2,154,169,184)(H2,155,170,185)(H2,156,171,186)(H2,157,172,187)(H2,158,173,188)(H2,159,174,189)(H2,160,175,190)(H2,161,176,191)(H2,162,177,192)(H2,163,178,193)(H2,164,179,194)(H2,165,180,195)
- InChIKey
- IWGYJYRFENVOKA-UHFFFAOYSA-N
- Compound name
- 5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4858.5957 | 311.5 |
[M+Na]+ | 4880.5776 | 311.5 |
[M-H]- | 4856.5811 | 311.5 |
[M+NH4]+ | 4875.6222 | 311.5 |
[M+K]+ | 4896.5516 | 311.5 |
[M+H-H2O]+ | 4840.5857 | 311.5 |
[M+HCOO]- | 4902.5866 | 311.5 |
[M+CH3COO]- | 4916.6023 | 311.5 |
[M+Na-2H]- | 4878.5631 | 311.5 |
[M]+ | 4857.5879 | 311.5 |
[M]- | 4857.5889 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.