N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C46H79NO38 — CID 91859844

About N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91859844) has the molecular formula C46H79NO38 and a molecular weight of 1254.11 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 91859844
• Molecular Formula: C46H79NO38
• Molecular Weight: 1254.11 g/mol
• Exact Mass: 1253.43
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O[C@H]3C(O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)OC(O[C@@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H]([C@@H](O)CO)O[C@H](O)[C@H]6O)O[C@H]([C@@H](O)CO)[C@H]5O)[C@@H]4O)O[C@H](CO)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C46H79NO38/c1-9(54)47-17-23(62)18(57)12(4-50)74-41(17)84-38-25(64)20(59)15(7-53)77-46(38)85-39-26(65)21(60)14(6-52)76-45(39)83-35-22(61)16(8-73-42-27(66)24(63)19(58)13(5-51)75-42)78-43(31(35)70)82-37-29(68)34(11(56)3-49)80-44(32(37)71)81-36-28(67)33(10(55)2-48)79-40(72)30(36)69/h10-46,48-53,55-72H,2-8H2,1H3,(H,47,54)/t10-,11-,12+,13+,14+,15+,16+,17+,18+,19-,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+/m0/s1
• InChIKey: KNSGYWKJRJRVTB-HBAUHASASA-N
• XLogP: -17.41
• TPSA: 634.61 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1254.11
LogP ≤ 5	-17.41
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 91859844) is N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O[C@H]3C(O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)OC(O[C@@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H]([C@@H](O)CO)O[C@H](O)[C@H]6O)O[C@H]([C@@H](O)CO)[C@H]5O)[C@@H]4O)O[C@H](CO)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is KNSGYWKJRJRVTB-HBAUHASASA-N. The full InChI is InChI=1S/C46H79NO38/c1-9(54)47-17-23(62)18(57)12(4-50)74-41(17)84-38-25(64)20(59)15(7-53)77-46(38)85-39-26(65)21(60)14(6-52)76-45(39)83-35-22(61)16(8-73-42-27(66)24(63)19(58)13(5-51)75-42)78-43(31(35)70)82-37-29(68)34(11(56)3-49)80-44(32(37)71)81-36-28(67)33(10(55)2-48)79-40(72)30(36)69/h10-46,48-53,55-72H,2-8H2,1H3,(H,47,54)/t10-,11-,12+,13+,14+,15+,16+,17+,18+,19-,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+/m0/s1.

What are the key properties of N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 1254.11 g/mol, XLogP of -17.41, 22 rotatable bonds, 25 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2-[(3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-6-[(2R,3R,4S,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91859844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).