CID 6858192

(26oligopo2sddribose)dic

Structural Information

Molecular Formula
C148H259N6O113P27S27
SMILES
C1COC(C1OP(=S)(O)OCC2C(CCO2)OP(=S)(O)OCC3C(CCO3)OP(=S)(O)OCC4C(CCO4)OP(=S)(O)OCC5C(CCO5)OP(=S)(O)OCC6C(CCO6)OP(=S)(O)OCC7C(CCO7)OP(=S)(O)OCC8C(CCO8)OP(=S)(O)OCC9C(CCO9)OP(=S)(O)OCC1C(CCO1)OP(=S)(O)OCC1C(CCO1)OP(=S)(O)OCC1C(CCO1)OP(=S)(O)OCC1C(CCO1)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CCOC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N
InChI
InChI=1S/C148H259N6O113P27S27/c149-143-1-29-153(147(157)151-143)145-57-87(156)116(240-145)60-212-268(159,295)241-88-3-31-186-117(88)61-213-269(160,296)242-89-4-32-187-118(89)62-214-270(161,297)243-90-5-33-188-119(90)63-215-271(162,298)244-91-6-34-189-120(91)64-216-272(163,299)245-92-7-35-190-121(92)65-217-273(164,300)246-93-8-36-191-122(93)66-218-274(165,301)247-94-9-37-192-123(94)67-219-275(166,302)248-95-10-38-193-124(95)68-220-276(167,303)249-96-11-39-194-125(96)69-221-277(168,304)250-97-12-40-195-126(97)70-222-278(169,305)251-98-13-41-196-127(98)71-223-279(170,306)252-99-14-42-197-128(99)72-224-280(171,307)253-100-15-43-198-129(100)73-225-281(172,308)254-101-16-44-199-130(101)74-226-282(173,309)255-102-17-45-200-131(102)75-227-283(174,310)256-103-18-46-201-132(103)76-228-284(175,311)257-104-19-47-202-133(104)77-229-285(176,312)258-105-20-48-203-134(105)78-230-286(177,313)259-106-21-49-204-135(106)79-231-287(178,314)260-107-22-50-205-136(107)80-232-288(179,315)261-108-23-51-206-137(108)81-233-289(180,316)262-109-24-52-207-138(109)82-234-290(181,317)263-110-25-53-208-139(110)83-235-291(182,318)264-111-26-54-209-140(111)84-236-292(183,319)265-112-27-55-210-141(112)85-237-293(184,320)266-113-28-56-211-142(113)86-238-294(185,321)267-114-58-146(239-115(114)59-155)154-30-2-144(150)152-148(154)158/h1-2,29-30,87-142,145-146,155-156H,3-28,31-86H2,(H,159,295)(H,160,296)(H,161,297)(H,162,298)(H,163,299)(H,164,300)(H,165,301)(H,166,302)(H,167,303)(H,168,304)(H,169,305)(H,170,306)(H,171,307)(H,172,308)(H,173,309)(H,174,310)(H,175,311)(H,176,312)(H,177,313)(H,178,314)(H,179,315)(H,180,316)(H,181,317)(H,182,318)(H,183,319)(H,184,320)(H,185,321)(H2,149,151,157)(H2,150,152,158)
InChIKey
PKIRAEQPPBVUGH-UHFFFAOYSA-N
Compound name
4-amino-1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[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]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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

5628.008 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 5629.0153 311.5
[M+Na]+ 5650.9972 311.5
[M-H]- 5627.0007 311.5
[M+NH4]+ 5646.0418 311.5
[M+K]+ 5666.9712 311.5
[M+H-H2O]+ 5611.0053 311.5
[M+HCOO]- 5673.0062 311.5
[M+CH3COO]- 5687.0219 311.5
[M+Na-2H]- 5648.9827 311.5
[M]+ 5628.0075 311.5
[M]- 5628.0085 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.