About N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91857711) has the molecular formula C70H120N2O50
and a molecular weight of 1789.69 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 91857711) is N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3[C@H](OC[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H](O)CO)O[C@@H](C)[C@H](O)[C@H]3O)O[C@H]2C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is KQFKDOJLVTZQQU-PTEQYXECSA-N. The full InChI is InChI=1S/C70H120N2O50/c1-15-31(82)40(91)45(96)63(104-15)116-54(35(86)23(80)9-73)24(81)14-103-69-59(43(94)34(85)18(4)107-69)122-70-60(49(100)53(20(6)109-70)115-62-30(72-22(8)79)56(37(88)26(11-75)111-62)118-68-51(102)58(39(90)28(13-77)113-68)120-65-47(98)42(93)33(84)17(3)106-65)121-66-48(99)44(95)52(19(5)108-66)114-61-29(71-21(7)78)55(36(87)25(10-74)110-61)117-67-50(101)57(38(89)27(12-76)112-67)119-64-46(97)41(92)32(83)16(2)105-64/h15-20,23-70,73-77,80-102H,9-14H2,1-8H3,(H,71,78)(H,72,79)/t15-,16-,17-,18-,19-,20-,23+,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57-,58-,59+,60+,61+,62-,63-,64-,65-,66-,67+,68+,69+,70-/m0/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 1789.69 g/mol, XLogP of -18.89, 31 rotatable bonds, 30 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2S,3R,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexoxy]oxan-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91857711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).