About N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide
N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide (PubChem CID 153491009) has the molecular formula C73H124N2O55
and a molecular weight of 1909.75 g/mol. Its IUPAC name is N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide.
Frequently Asked Questions
What is the IUPAC name of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide (CID 153491009) is N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide is CC(=O)N[C@@H]1C(O[C@@H]2C(CO)OC(C(C)C)[C@@H](NC(C)=O)[C@H]2O)OC(CO)[C@@H](OC2OC(COC3OC(COC4OC(CO)[C@@H](O)[C@H](O)[C@H]4OC4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](OC4O[C@@H](CO)[C@@H](O)[C@H](O)C4OC4O[C@@H](CO)[C@@H](O)[C@H](O)C4O)[C@H]3O)[C@@H](O)[C@H](OC3O[C@@H](CO)[C@@H](O)[C@H](O)C3OC3O[C@@H](CO)[C@@H](O)[C@H](O)C3OC3O[C@@H](CO)[C@@H](O)[C@H](O)C3O)[C@H]2O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
The InChIKey is JHKYTEVOYZGOPR-KQOXYFGTSA-N. The full InChI is InChI=1S/C73H124N2O55/c1-16(2)55-30(74-17(3)85)41(96)56(26(12-83)112-55)123-64-31(75-18(4)86)42(97)57(27(13-84)120-64)124-69-54(109)59(126-72-63(49(104)38(93)24(10-81)118-72)130-73-62(48(103)37(92)25(11-82)119-73)129-68-52(107)45(100)34(89)21(7-78)115-68)40(95)29(122-69)14-110-65-53(108)58(125-71-61(47(102)36(91)23(9-80)117-71)128-67-51(106)44(99)33(88)20(6-77)114-67)39(94)28(121-65)15-111-70-60(46(101)35(90)22(8-79)116-70)127-66-50(105)43(98)32(87)19(5-76)113-66/h16,19-73,76-84,87-109H,5-15H2,1-4H3,(H,74,85)(H,75,86)/t19?,20-,21-,22?,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?,71?,72?,73?/m0/s1.
What are the key properties of N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide?
N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide has a molecular weight of 1909.75 g/mol, XLogP of -22.99, 34 rotatable bonds, 34 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-5-[(3S,4R,5S)-3-acetamido-5-[(3R,4S,5R)-4-[(4S,5S,6S)-3-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3R,4S,5R)-4-[(4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(3R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]acetamide is sourced from PubChem (CID 153491009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).