CID 16197263

S-dt20

Structural Information

Molecular Formula
C200H261N40O119P19S19
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(=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)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)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)S)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/C200H261N40O119P19S19/c1-81-41-221(181(263)201-161(81)243)141-21-101(242)122(322-141)62-302-360(283,379)342-103-23-143(223-43-83(3)163(245)203-183(223)265)324-124(103)64-304-362(285,381)344-105-25-145(225-45-85(5)165(247)205-185(225)267)326-126(105)66-306-364(287,383)346-107-27-147(227-47-87(7)167(249)207-187(227)269)328-128(107)68-308-366(289,385)348-109-29-149(229-49-89(9)169(251)209-189(229)271)330-130(109)70-310-368(291,387)350-111-31-151(231-51-91(11)171(253)211-191(231)273)332-132(111)72-312-370(293,389)352-113-33-153(233-53-93(13)173(255)213-193(233)275)334-134(113)74-314-372(295,391)354-115-35-155(235-55-95(15)175(257)215-195(235)277)336-136(115)76-316-374(297,393)356-117-37-157(237-57-97(17)177(259)217-197(237)279)338-138(117)78-318-376(299,395)358-119-39-159(239-59-99(19)179(261)219-199(239)281)340-140(119)80-320-378(301,397)359-120-40-160(240-60-100(20)180(262)220-200(240)282)339-139(120)79-319-377(300,396)357-118-38-158(238-58-98(18)178(260)218-198(238)280)337-137(118)77-317-375(298,394)355-116-36-156(236-56-96(16)176(258)216-196(236)278)335-135(116)75-315-373(296,392)353-114-34-154(234-54-94(14)174(256)214-194(234)276)333-133(114)73-313-371(294,390)351-112-32-152(232-52-92(12)172(254)212-192(232)274)331-131(112)71-311-369(292,388)349-110-30-150(230-50-90(10)170(252)210-190(230)272)329-129(110)69-309-367(290,386)347-108-28-148(228-48-88(8)168(250)208-188(228)270)327-127(108)67-307-365(288,384)345-106-26-146(226-46-86(6)166(248)206-186(226)268)325-125(106)65-305-363(286,382)343-104-24-144(224-44-84(4)164(246)204-184(224)266)323-123(104)63-303-361(284,380)341-102-22-142(321-121(102)61-241)222-42-82(2)162(244)202-182(222)264/h41-60,101-160,241-242H,21-40,61-80H2,1-20H3,(H,283,379)(H,284,380)(H,285,381)(H,286,382)(H,287,383)(H,288,384)(H,289,385)(H,290,386)(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,201,243,263)(H,202,244,264)(H,203,245,265)(H,204,246,266)(H,205,247,267)(H,206,248,268)(H,207,249,269)(H,208,250,270)(H,209,251,271)(H,210,252,272)(H,211,253,273)(H,212,254,274)(H,213,255,275)(H,214,256,276)(H,215,257,277)(H,216,258,278)(H,217,259,279)(H,218,260,280)(H,219,261,281)(H,220,262,282)
InChIKey
AJGIIUQWHRAPKI-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-5-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

6322.531 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6323.5383 311.5
[M+Na]+ 6345.5202 311.5
[M-H]- 6321.5237 311.5
[M+NH4]+ 6340.5648 311.5
[M+K]+ 6361.4942 311.5
[M+H-H2O]+ 6305.5283 311.5
[M+HCOO]- 6367.5292 311.5
[M+CH3COO]- 6381.5449 311.5
[M+Na-2H]- 6343.5057 311.5
[M]+ 6322.5305 311.5
[M]- 6322.5315 311.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.