CID 16133579
S-dc(15) oligonucleotide phosphorothioate
Structural Information
- Molecular Formula
- C153H205N51O84P16S16
- SMILES
- C1C(C(OC1N2C=CC(=NC2=O)N)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(=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=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/C153H205N51O84P16S16/c154-103-1-18-188(137(207)171-103)120-35-69(206)87(257-120)53-240-289(224,305)274-71-37-122(190-20-3-105(156)173-139(190)209)259-89(71)55-242-291(226,307)276-73-39-124(192-22-5-107(158)175-141(192)211)261-91(73)57-244-293(228,309)278-75-41-126(194-24-7-109(160)177-143(194)213)263-93(75)59-246-295(230,311)280-77-43-128(196-26-9-111(162)179-145(196)215)265-95(77)61-248-297(232,313)282-79-45-130(198-28-11-113(164)181-147(198)217)267-97(79)63-250-299(234,315)284-81-47-132(200-30-13-115(166)183-149(200)219)269-99(81)65-252-301(236,317)286-83-49-134(202-32-15-117(168)185-151(202)221)271-101(83)67-254-303(238,319)288-85-51-136(204-34-17-119(170)187-153(204)223)272-102(85)68-255-304(239,320)287-84-50-135(203-33-16-118(169)186-152(203)222)270-100(84)66-253-302(237,318)285-82-48-133(201-31-14-116(167)184-150(201)220)268-98(82)64-251-300(235,316)283-80-46-131(199-29-12-114(165)182-148(199)218)266-96(80)62-249-298(233,314)281-78-44-129(197-27-10-112(163)180-146(197)216)264-94(78)60-247-296(231,312)279-76-42-127(195-25-8-110(161)178-144(195)214)262-92(76)58-245-294(229,310)277-74-40-125(193-23-6-108(159)176-142(193)212)260-90(74)56-243-292(227,308)275-72-38-123(191-21-4-106(157)174-140(191)210)258-88(72)54-241-290(225,306)273-70-36-121(256-86(70)52-205)189-19-2-104(155)172-138(189)208/h1-34,69-102,120-136,205-206H,35-68H2,(H,224,305)(H,225,306)(H,226,307)(H,227,308)(H,228,309)(H,229,310)(H,230,311)(H,231,312)(H,232,313)(H,233,314)(H,234,315)(H,235,316)(H,236,317)(H,237,318)(H,238,319)(H,239,320)(H2,154,171,207)(H2,155,172,208)(H2,156,173,209)(H2,157,174,210)(H2,158,175,211)(H2,159,176,212)(H2,160,177,213)(H2,161,178,214)(H2,162,179,215)(H2,163,180,216)(H2,164,181,217)(H2,165,182,218)(H2,166,183,219)(H2,167,184,220)(H2,168,185,221)(H2,169,186,222)(H2,170,187,223)
- InChIKey
- MZDKBJGLSKLDNG-UHFFFAOYSA-N
- Compound name
- 4-amino-1-[5-[[[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-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-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-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5108.4746 | 311.7 |
[M+Na]+ | 5130.4565 | 311.8 |
[M-H]- | 5106.4600 | 311.7 |
[M+NH4]+ | 5125.5011 | 311.7 |
[M+K]+ | 5146.4305 | 311.7 |
[M+H-H2O]+ | 5090.4646 | 311.7 |
[M+HCOO]- | 5152.4655 | 311.7 |
[M+CH3COO]- | 5166.4812 | 311.7 |
[M+Na-2H]- | 5128.4420 | 311.8 |
[M]+ | 5107.4668 | 311.7 |
[M]- | 5107.4678 | 311.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.