CID 49767716
Ccaaaggccgcggc
Structural Information
- Molecular Formula
- C154H194N65O94P16
- 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=CC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C(N=CN=C98)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=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=NC2=C1N=C(NC2=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=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C154H193N65O94P16/c1-59-30-210(154(234)203-135(59)221)105-21-61(77(284-105)31-267-314(235)236)299-316(239,240)269-33-79-63(16-100(286-79)205-9-3-93(156)186-149(205)229)301-317(241,242)270-35-80-65(18-102(287-80)207-11-5-95(158)188-151(207)231)303-319(245,246)275-39-84-68(22-106(291-84)211-50-176-114-123(161)170-47-173-126(114)211)306-325(257,258)276-40-85-69(23-107(292-85)212-51-177-115-124(162)171-48-174-127(115)212)307-326(259,260)277-41-86-70(24-108(293-86)213-52-178-116-125(163)172-49-175-128(116)213)308-327(261,262)280-44-89-75(29-113(296-89)219-58-184-122-134(219)196-147(169)202-141(122)227)313-329(265,266)282-46-91-73(27-111(298-91)217-56-182-120-132(217)194-145(167)200-139(120)225)311-324(255,256)273-37-82-64(17-101(289-82)206-10-4-94(157)187-150(206)230)302-318(243,244)271-36-81-66(19-103(288-81)208-12-6-96(159)189-152(208)232)304-320(247,248)278-42-87-71(25-109(294-87)215-54-180-118-130(215)192-143(165)198-137(118)223)309-323(253,254)274-38-83-67(20-104(290-83)209-13-7-97(160)190-153(209)233)305-321(249,250)279-43-88-74(28-112(295-88)218-57-183-121-133(218)195-146(168)201-140(121)226)312-328(263,264)281-45-90-72(26-110(297-90)216-55-181-119-131(216)193-144(166)199-138(119)224)310-322(251,252)272-34-78-62(15-99(285-78)204-8-2-92(155)185-148(204)228)300-315(237,238)268-32-76-60(220)14-98(283-76)214-53-179-117-129(214)191-142(164)197-136(117)222/h2-13,30,47-58,60-91,98-113,220H,14-29,31-46H2,1H3,(H52-,155,156,157,158,159,160,161,162,163,164,165,166,167,168,169,170,171,172,173,174,175,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,258,259,260,261,262,263,264,265,266)/p+1
- InChIKey
- MMQPVNZOXDEHSU-UHFFFAOYSA-O
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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]oxyoxolan-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-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-(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]+ | 4953.8273 | 311.5 |
[M+Na]+ | 4975.8092 | 311.5 |
[M-H]- | 4951.8127 | 311.5 |
[M+NH4]+ | 4970.8538 | 311.5 |
[M+K]+ | 4991.7832 | 311.5 |
[M+H-H2O]+ | 4935.8173 | 311.5 |
[M+HCOO]- | 4997.8182 | 311.5 |
[M+CH3COO]- | 5011.8339 | 311.5 |
[M+Na-2H]- | 4973.7947 | 311.6 |
[M]+ | 4952.8195 | 311.5 |
[M]- | 4952.8205 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.