About N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide (PubChem CID 58723091) has the molecular formula C39H67N3O26
and a molecular weight of 993.96 g/mol. Its IUPAC name is N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
The IUPAC name of N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide (CID 58723091) is N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide.
What is the SMILES notation for N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
The canonical SMILES for N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide is CCCCC(=O)N[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)C(O)C4O)C3O)[C@H](O)C2NC(C)=O)[C@H](O)C1NC(C)=O.
What is the InChIKey of N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
The InChIKey is QWPNDNTYOUUSPR-XSWSJNDBSA-N. The full InChI is InChI=1S/C39H67N3O26/c1-4-5-6-19(49)42-35-20(40-12(2)47)25(53)32(16(9-45)61-35)66-36-21(41-13(3)48)26(54)33(17(10-46)64-36)67-39-31(59)34(68-38-30(58)28(56)23(51)15(8-44)63-38)24(52)18(65-39)11-60-37-29(57)27(55)22(50)14(7-43)62-37/h14-18,20-39,43-46,50-59H,4-11H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)/t14?,15-,16?,17?,18?,20?,21?,22+,23-,24+,25-,26-,27+,28?,29?,30?,31?,32+,33+,34+,35-,36+,37-,38-,39+/m1/s1.
What are the key properties of N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide has a molecular weight of 993.96 g/mol, XLogP of -10.32, 19 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,5R)-3-acetamido-5-[(2S,4R,5R)-3-acetamido-5-[(2S,4S,5S)-3,5-dihydroxy-4-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide is sourced from PubChem (CID 58723091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).