[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate

C320H451N51O76P10S10 — CID 148556388

IUPAC[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
SMILES[C-]#[N+]CCSP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(=O)CCC(=O)OCCN(C)C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc2=O)C[C@H]1OC(=O)CCC(C)=O)SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])O[C@@H]1C[C@H](n2ccc(NC(=O)CCC(=O)OCCN(C)C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CC)SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-]
InChIInChI=1S/C320H451N51O76P10S10/c1-27-34-40-46-52-58-64-70-76-82-88-94-100-106-112-133-177-408-252-195-238(196-253(409-178-134-113-107-101-95-89-83-77-71-65-59-53-47-41-35-28-2)291(252)414-181-137-116-110-104-98-92-86-80-74-68-62-56-50-44-38-31-5)310(389)359(25)175-183-412-284(375)153-150-271(373)339-266-155-170-361(314(391)344-266)273-199-241(437-286(377)152-149-232(14)372)256(427-273)212-416-449(399,459-186-161-322-16)442-246-204-278(366-210-230(12)301(380)357-319(366)396)431-260(246)216-421-450(400,460-187-162-323-17)439-244-202-276(364-173-158-269(347-317(364)394)342-304(383)234-141-125-119-126-142-234)429-258(244)214-419-455(405,465-192-167-328-22)447-251-209-283(371-227-338-290-298(371)352-313(356-309(290)388)354-300(379)229(10)11)436-265(251)221-425-457(407,467-194-169-330-24)445-249-207-281(369-225-336-288-294(332-223-334-296(288)369)350-307(386)237-147-131-122-132-148-237)434-263(249)219-423-452(402,462-189-164-325-19)441-243-201-275(363-171-156-267(345-315(363)392)340-272(374)151-154-285(376)413-184-176-360(26)311(390)239-197-254(410-179-135-114-108-102-96-90-84-78-72-66-60-54-48-42-36-29-3)292(415-182-138-117-111-105-99-93-87-81-75-69-63-57-51-45-39-32-6)255(198-239)411-180-136-115-109-103-97-91-85-79-73-67-61-55-49-43-37-30-4)428-257(243)213-418-453(403,463-190-165-326-20)443-247-205-279(367-211-231(13)302(381)358-320(367)397)432-261(247)217-422-451(401,461-188-163-324-18)440-245-203-277(365-174-159-270(348-318(365)395)343-305(384)235-143-127-120-128-144-235)430-259(245)215-420-454(404,464-191-166-327-21)446-250-208-282(370-226-337-289-297(370)351-312(355-308(289)387)353-299(378)228(8)9)435-264(250)220-424-456(406,466-193-168-329-23)444-248-206-280(368-224-335-287-293(331-222-333-295(287)368)349-306(385)236-145-129-121-130-146-236)433-262(248)218-417-448(398,458-185-160-321-15)438-242-200-274(426-240(242)33-7)362-172-157-268(346-316(362)393)341-303(382)233-139-123-118-124-140-233/h118-132,139-148,155-159,170-174,195-198,210-211,222-229,240-251,256-265,273-283H,27-117,133-138,149-154,160-169,175-194,199-209,212-221H2,1-14,25-26H3,(H,357,380,396)(H,358,381,397)(H,331,333,349,385)(H,332,334,350,386)(H,339,344,373,391)(H,340,345,374,392)(H,341,346,382,393)(H,342,347,383,394)(H,343,348,384,395)(H2,351,353,355,378,387)(H2,352,354,356,379,388)/t240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,273-,274-,275-,276-,277-,278-,279-,280-,281-,282-,283-,448?,449?,450?,451?,452?,453?,454?,455?,456?,457?/m1/s1
InChIKeyMUDNILUFLKBRQW-DZENSYLHSA-N
MW6858.82 g/mol
LogP67.77
Rot. Bonds234

About [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate

[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate (PubChem CID 148556388) has the molecular formula C320H451N51O76P10S10 and a molecular weight of 6858.82 g/mol. Its IUPAC name is [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
PubChem CID148556388
Molecular FormulaC320H451N51O76P10S10
Molecular Weight6858.82 g/mol
Exact Mass6853.76
IUPAC Name[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate
SMILES[C-]#[N+]CCSP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(=O)CCC(=O)OCCN(C)C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc2=O)C[C@H]1OC(=O)CCC(C)=O)SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])O[C@@H]1C[C@H](n2ccc(NC(=O)CCC(=O)OCCN(C)C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CC)SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-]
InChIInChI=1S/C320H451N51O76P10S10/c1-27-34-40-46-52-58-64-70-76-82-88-94-100-106-112-133-177-408-252-195-238(196-253(409-178-134-113-107-101-95-89-83-77-71-65-59-53-47-41-35-28-2)291(252)414-181-137-116-110-104-98-92-86-80-74-68-62-56-50-44-38-31-5)310(389)359(25)175-183-412-284(375)153-150-271(373)339-266-155-170-361(314(391)344-266)273-199-241(437-286(377)152-149-232(14)372)256(427-273)212-416-449(399,459-186-161-322-16)442-246-204-278(366-210-230(12)301(380)357-319(366)396)431-260(246)216-421-450(400,460-187-162-323-17)439-244-202-276(364-173-158-269(347-317(364)394)342-304(383)234-141-125-119-126-142-234)429-258(244)214-419-455(405,465-192-167-328-22)447-251-209-283(371-227-338-290-298(371)352-313(356-309(290)388)354-300(379)229(10)11)436-265(251)221-425-457(407,467-194-169-330-24)445-249-207-281(369-225-336-288-294(332-223-334-296(288)369)350-307(386)237-147-131-122-132-148-237)434-263(249)219-423-452(402,462-189-164-325-19)441-243-201-275(363-171-156-267(345-315(363)392)340-272(374)151-154-285(376)413-184-176-360(26)311(390)239-197-254(410-179-135-114-108-102-96-90-84-78-72-66-60-54-48-42-36-29-3)292(415-182-138-117-111-105-99-93-87-81-75-69-63-57-51-45-39-32-6)255(198-239)411-180-136-115-109-103-97-91-85-79-73-67-61-55-49-43-37-30-4)428-257(243)213-418-453(403,463-190-165-326-20)443-247-205-279(367-211-231(13)302(381)358-320(367)397)432-261(247)217-422-451(401,461-188-163-324-18)440-245-203-277(365-174-159-270(348-318(365)395)343-305(384)235-143-127-120-128-144-235)430-259(245)215-420-454(404,464-191-166-327-21)446-250-208-282(370-226-337-289-297(370)351-312(355-308(289)387)353-299(378)228(8)9)435-264(250)220-424-456(406,466-193-168-329-23)444-248-206-280(368-224-335-287-293(331-222-333-295(287)368)349-306(385)236-145-129-121-130-146-236)433-262(248)218-417-448(398,458-185-160-321-15)438-242-200-274(426-240(242)33-7)362-172-157-268(346-316(362)393)341-303(382)233-139-123-118-124-140-233/h118-132,139-148,155-159,170-174,195-198,210-211,222-229,240-251,256-265,273-283H,27-117,133-138,149-154,160-169,175-194,199-209,212-221H2,1-14,25-26H3,(H,357,380,396)(H,358,381,397)(H,331,333,349,385)(H,332,334,350,386)(H,339,344,373,391)(H,340,345,374,392)(H,341,346,382,393)(H,342,347,383,394)(H,343,348,384,395)(H2,351,353,355,378,387)(H2,352,354,356,379,388)/t240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,273-,274-,275-,276-,277-,278-,279-,280-,281-,282-,283-,448?,449?,450?,451?,452?,453?,454?,455?,456?,457?/m1/s1
InChIKeyMUDNILUFLKBRQW-DZENSYLHSA-N
XLogP67.77
TPSA1452.81 Ų
H-Bond Donors13
H-Bond Acceptors112
Rotatable Bonds234
Heavy Atoms467
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006858.82
LogP ≤ 567.77
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 10112

Analyze [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate (CID 148556388) is [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate is [C-]#[N+]CCSP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(=O)CCC(=O)OCCN(C)C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc2=O)C[C@H]1OC(=O)CCC(C)=O)SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])O[C@@H]1C[C@H](n2ccc(NC(=O)CCC(=O)OCCN(C)C(=O)c3cc(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCCCC)c3)nc2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COP(=O)(O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CC)SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-])SCC[N+]#[C-].
What is the InChIKey of [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate?
The InChIKey is MUDNILUFLKBRQW-DZENSYLHSA-N. The full InChI is InChI=1S/C320H451N51O76P10S10/c1-27-34-40-46-52-58-64-70-76-82-88-94-100-106-112-133-177-408-252-195-238(196-253(409-178-134-113-107-101-95-89-83-77-71-65-59-53-47-41-35-28-2)291(252)414-181-137-116-110-104-98-92-86-80-74-68-62-56-50-44-38-31-5)310(389)359(25)175-183-412-284(375)153-150-271(373)339-266-155-170-361(314(391)344-266)273-199-241(437-286(377)152-149-232(14)372)256(427-273)212-416-449(399,459-186-161-322-16)442-246-204-278(366-210-230(12)301(380)357-319(366)396)431-260(246)216-421-450(400,460-187-162-323-17)439-244-202-276(364-173-158-269(347-317(364)394)342-304(383)234-141-125-119-126-142-234)429-258(244)214-419-455(405,465-192-167-328-22)447-251-209-283(371-227-338-290-298(371)352-313(356-309(290)388)354-300(379)229(10)11)436-265(251)221-425-457(407,467-194-169-330-24)445-249-207-281(369-225-336-288-294(332-223-334-296(288)369)350-307(386)237-147-131-122-132-148-237)434-263(249)219-423-452(402,462-189-164-325-19)441-243-201-275(363-171-156-267(345-315(363)392)340-272(374)151-154-285(376)413-184-176-360(26)311(390)239-197-254(410-179-135-114-108-102-96-90-84-78-72-66-60-54-48-42-36-29-3)292(415-182-138-117-111-105-99-93-87-81-75-69-63-57-51-45-39-32-6)255(198-239)411-180-136-115-109-103-97-91-85-79-73-67-61-55-49-43-37-30-4)428-257(243)213-418-453(403,463-190-165-326-20)443-247-205-279(367-211-231(13)302(381)358-320(367)397)432-261(247)217-422-451(401,461-188-163-324-18)440-245-203-277(365-174-159-270(348-318(365)395)343-305(384)235-143-127-120-128-144-235)430-259(245)215-420-454(404,464-191-166-327-21)446-250-208-282(370-226-337-289-297(370)351-312(355-308(289)387)353-299(378)228(8)9)435-264(250)220-424-456(406,466-193-168-329-23)444-248-206-280(368-224-335-287-293(331-222-333-295(287)368)349-306(385)236-145-129-121-130-146-236)433-262(248)218-417-448(398,458-185-160-321-15)438-242-200-274(426-240(242)33-7)362-172-157-268(346-316(362)393)341-303(382)233-139-123-118-124-140-233/h118-132,139-148,155-159,170-174,195-198,210-211,222-229,240-251,256-265,273-283H,27-117,133-138,149-154,160-169,175-194,199-209,212-221H2,1-14,25-26H3,(H,357,380,396)(H,358,381,397)(H,331,333,349,385)(H,332,334,350,386)(H,339,344,373,391)(H,340,345,374,392)(H,341,346,382,393)(H,342,347,383,394)(H,343,348,384,395)(H2,351,353,355,378,387)(H2,352,354,356,379,388)/t240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,273-,274-,275-,276-,277-,278-,279-,280-,281-,282-,283-,448?,449?,450?,451?,452?,453?,454?,455?,456?,457?/m1/s1.
What are the key properties of [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate?
[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate has a molecular weight of 6858.82 g/mol, XLogP of 67.77, 234 rotatable bonds, 13 hydrogen bond donors, and 112 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-isocyanoethylsulfanyl)phosphoryl]oxymethyl]-5-[4-[[4-[2-[methyl-(3,4,5-trioctadecoxybenzoyl)amino]ethoxy]-4-oxobutanoyl]amino]-2-oxopyrimidin-1-yl]oxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 148556388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).