About [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane
[(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane (PubChem CID 159955665) has the molecular formula C217H295N11O46
and a molecular weight of 3796.79 g/mol. Its IUPAC name is [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane.
Frequently Asked Questions
What is the IUPAC name of [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane?
The IUPAC name of [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane (CID 159955665) is [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane.
What is the SMILES notation for [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane?
The canonical SMILES for [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane is COc1ccc(C(OC[C@@H]2C[C@@H](OC(=O)CCC(C)=O)CN2C(=O)CCCCCCC(=O)C(CCCCNC(=O)C(CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)NC(=O)OCC2c3ccccc3-c3ccccc32)NC(=O)C(CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccc(OC)cc2)cc1.[2H]C[C@@H]1C[C@@H](OC(=O)CCC(C)=O)CN1C(=O)CCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)C(CCCCNC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C)CC(=O)CCCCO[C@@H]1OC(COC(C)=O)[C@H](C)[C@H](C)C1C.[3H]OC.
What is the InChIKey of [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane?
The InChIKey is OCRHUMLOAXBYOS-NWYGSJEVSA-N. The full InChI is InChI=1S/C117H124N6O18.C99H167N5O27.CH4O/c1-77(124)56-65-110(127)141-85-70-82(72-140-117(79-34-7-6-8-35-79,80-57-61-83(134-2)62-58-80)81-59-63-84(135-3)64-60-81)123(71-85)109(126)55-10-5-4-9-54-108(125)106(121-112(129)78(69-111(128)136-73-102-94-44-19-11-36-86(94)87-37-12-20-45-95(87)102)33-27-30-67-119-114(131)137-74-103-96-46-21-13-38-88(96)89-39-14-22-47-97(89)103)52-28-31-66-118-113(130)107(122-116(133)139-76-105-100-50-25-17-42-92(100)93-43-18-26-51-101(93)105)53-29-32-68-120-115(132)138-75-104-98-48-23-15-40-90(98)91-41-16-24-49-99(91)104;1-61-52-84(127-93(116)43-42-62(2)105)56-104(61)92(115)41-33-47-103-95(118)81(55-85(112)79(53-82(110)37-22-29-48-119-96-71(11)63(3)67(7)86(128-96)57-123-75(15)106)34-19-26-44-100-90(113)39-24-31-50-121-98-73(13)65(5)69(9)88(130-98)59-125-77(17)108)36-21-28-46-102-94(117)80(54-83(111)38-23-30-49-120-97-72(12)64(4)68(8)87(129-97)58-124-76(16)107)35-20-27-45-101-91(114)40-25-32-51-122-99-74(14)66(6)70(10)89(131-99)60-126-78(18)109;1-2/h6-8,11-26,34-51,57-64,78,82,85,102-107H,4-5,9-10,27-33,52-56,65-76H2,1-3H3,(H,118,130)(H,119,131)(H,120,132)(H,121,129)(H,122,133);61,63-74,79-81,84,86-89,96-99H,19-60H2,1-18H3,(H,100,113)(H,101,114)(H,102,117)(H,103,118);2H,1H3/t78?,82-,85+,106?,107?;61-,63+,64+,65+,66+,67-,68-,69-,70-,71?,72?,73?,74?,79?,80?,81?,84-,86?,87?,88?,89?,96-,97-,98-,99-;/m01./s1/i;1D;2T.
What are the key properties of [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane?
[(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane has a molecular weight of 3796.79 g/mol, XLogP of 32.77, 114 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-[4-[[11-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[[8-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-2-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4-oxooctanoyl]amino]butyl]-5-[4-[5-[(2R,4S,5R)-6-(acetyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxypentanoylamino]butyl]-4,7-dioxoundecanoyl]amino]butanoyl]-5-(deuteriomethyl)pyrrolidin-3-yl] 4-oxopentanoate;9H-fluoren-9-ylmethyl 3-[[1-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-13-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(4-oxopentanoyloxy)pyrrolidin-1-yl]-6,13-dioxotridecan-5-yl]carbamoyl]-7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoate;tritiooxymethane is sourced from PubChem (CID 159955665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).