CID 16130124

(dt)20-[ddtmp]

Structural Information

Molecular Formula
C210H274N42O144P20
SMILES
CC1=CN(C(=O)NC1=O)C2CCC(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)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(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)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
InChI
InChI=1S/C210H274N42O144P20/c1-86-44-232(190(275)211-169(86)254)148-23-22-107(356-148)66-336-397(296,297)378-109-25-150(234-46-88(3)171(256)213-192(234)277)358-129(109)68-338-399(300,301)380-111-27-152(236-48-90(5)173(258)215-194(236)279)360-131(111)70-340-401(304,305)382-113-29-154(238-50-92(7)175(260)217-196(238)281)362-133(113)72-342-403(308,309)384-115-31-156(240-52-94(9)177(262)219-198(240)283)364-135(115)74-344-405(312,313)386-117-33-158(242-54-96(11)179(264)221-200(242)285)366-137(117)76-346-407(316,317)388-119-35-160(244-56-98(13)181(266)223-202(244)287)368-139(119)78-348-409(320,321)390-121-37-162(246-58-100(15)183(268)225-204(246)289)370-141(121)80-350-411(324,325)392-123-39-164(248-60-102(17)185(270)227-206(248)291)372-143(123)82-352-413(328,329)394-125-41-166(250-62-104(19)187(272)229-208(250)293)374-145(125)84-354-415(332,333)396-127-43-168(252-64-106(21)189(274)231-210(252)295)376-147(127)85-355-416(334,335)395-126-42-167(251-63-105(20)188(273)230-209(251)294)375-146(126)83-353-414(330,331)393-124-40-165(249-61-103(18)186(271)228-207(249)292)373-144(124)81-351-412(326,327)391-122-38-163(247-59-101(16)184(269)226-205(247)290)371-142(122)79-349-410(322,323)389-120-36-161(245-57-99(14)182(267)224-203(245)288)369-140(120)77-347-408(318,319)387-118-34-159(243-55-97(12)180(265)222-201(243)286)367-138(118)75-345-406(314,315)385-116-32-157(241-53-95(10)178(263)220-199(241)284)365-136(116)73-343-404(310,311)383-114-30-155(239-51-93(8)176(261)218-197(239)282)363-134(114)71-341-402(306,307)381-112-28-153(237-49-91(6)174(259)216-195(237)280)361-132(112)69-339-400(302,303)379-110-26-151(235-47-89(4)172(257)214-193(235)278)359-130(110)67-337-398(298,299)377-108-24-149(357-128(108)65-253)233-45-87(2)170(255)212-191(233)276/h44-64,107-168,253H,22-43,65-85H2,1-21H3,(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,211,254,275)(H,212,255,276)(H,213,256,277)(H,214,257,278)(H,215,258,279)(H,216,259,280)(H,217,260,281)(H,218,261,282)(H,219,262,283)(H,220,263,284)(H,221,264,285)(H,222,265,286)(H,223,266,287)(H,224,267,288)(H,225,268,289)(H,226,269,290)(H,227,270,291)(H,228,271,292)(H,229,272,293)(H,230,273,294)(H,231,274,295)
InChIKey
VLHYWNXMMMKKKF-UHFFFAOYSA-N
Compound name
[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[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]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6307.016 Da
Monoisotopic Mass

-32.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 6308.0233 311.6
[M+Na]+ 6330.0052 311.7
[M-H]- 6306.0087 311.6
[M+NH4]+ 6325.0498 311.6
[M+K]+ 6345.9792 311.6
[M+H-H2O]+ 6290.0133 311.6
[M+HCOO]- 6352.0142 311.6
[M+CH3COO]- 6366.0299 311.6
[M+Na-2H]- 6327.9907 311.6
[M]+ 6307.0155 311.7
[M]- 6307.0165 311.7
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.