CID 16197455
1,2-diaminopropane-p(dt)16
Structural Information
- Molecular Formula
- C163H218N34O112P16
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(NCC(C)N)O)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C163H218N34O112P16/c1-67-35-182(148(215)166-132(67)199)116-18-84(198)100(279-116)51-264-311(233,234)296-86-20-118(184-37-69(3)134(201)168-150(184)217)281-102(86)53-266-313(237,238)298-88-22-120(186-39-71(5)136(203)170-152(186)219)283-104(88)55-268-315(241,242)300-90-24-122(188-41-73(7)138(205)172-154(188)221)285-106(90)57-270-317(245,246)302-92-26-124(190-43-75(9)140(207)174-156(190)223)287-108(92)59-272-319(249,250)304-94-28-126(192-45-77(11)142(209)176-158(192)225)289-110(94)61-274-321(253,254)306-96-30-128(194-47-79(13)144(211)178-160(194)227)291-112(96)63-276-323(257,258)308-98-32-130(196-49-81(15)146(213)180-162(196)229)293-114(98)65-278-325(261,262)309-99-33-131(197-50-82(16)147(214)181-163(197)230)294-115(99)66-277-324(259,260)307-97-31-129(195-48-80(14)145(212)179-161(195)228)292-113(97)64-275-322(255,256)305-95-29-127(193-46-78(12)143(210)177-159(193)226)290-111(95)62-273-320(251,252)303-93-27-125(191-44-76(10)141(208)175-157(191)224)288-109(93)60-271-318(247,248)301-91-25-123(189-42-74(8)139(206)173-155(189)222)286-107(91)58-269-316(243,244)299-89-23-121(187-40-72(6)137(204)171-153(187)220)284-105(89)56-267-314(239,240)297-87-21-119(185-38-70(4)135(202)169-151(185)218)282-103(87)54-265-312(235,236)295-85-19-117(183-36-68(2)133(200)167-149(183)216)280-101(85)52-263-310(231,232)165-34-83(17)164/h35-50,83-131,198H,18-34,51-66,164H2,1-17H3,(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H2,165,231,232)(H,166,199,215)(H,167,200,216)(H,168,201,217)(H,169,202,218)(H,170,203,219)(H,171,204,220)(H,172,205,221)(H,173,206,222)(H,174,207,223)(H,175,208,224)(H,176,209,225)(H,177,210,226)(H,178,211,227)(H,179,212,228)(H,180,213,229)(H,181,214,230)
- InChIKey
- AWXMICUHWPDDBT-UHFFFAOYSA-N
- Compound name
- N-(2-aminopropyl)-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphonamidic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4939.8283 | 314.9 |
[M+Na]+ | 4961.8102 | 315.1 |
[M-H]- | 4937.8137 | 315.1 |
[M+NH4]+ | 4956.8548 | 315.0 |
[M+K]+ | 4977.7842 | 314.8 |
[M+H-H2O]+ | 4921.8183 | 314.6 |
[M+HCOO]- | 4983.8192 | 314.9 |
[M+CH3COO]- | 4997.8349 | 314.8 |
[M+Na-2H]- | 4959.7957 | 315.0 |
[M]+ | 4938.8205 | 315.1 |
[M]- | 4938.8215 | 315.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.