N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C30H52N4O20 — CID 91350200

About N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91350200) has the molecular formula C30H52N4O20 and a molecular weight of 788.75 g/mol. Its IUPAC name is N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 91350200
• Molecular Formula: C30H52N4O20
• Molecular Weight: 788.75 g/mol
• Exact Mass: 788.32
• IUPAC Name: N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2N)C(CO)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O)C(NC(C)=O)C2O)C(NC(C)=O)[C@H]1O
• InChI: InChI=1S/C30H52N4O20/c1-8(39)32-16-21(44)24(12(5-36)48-27(16)47)53-29-18(34-10(3)41)23(46)26(14(7-38)51-29)54-30-17(33-9(2)40)22(45)25(13(6-37)50-30)52-28-15(31)20(43)19(42)11(4-35)49-28/h11-30,35-38,42-47H,4-7,31H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)/t11?,12?,13?,14?,15?,16?,17?,18?,19-,20-,21?,22?,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1
• InChIKey: PELBXIOURXZECK-KCRMEQAUSA-N
• XLogP: -9.35
• TPSA: 380.23 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.75
LogP ≤ 5	-9.35
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 91350200) is N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2N)C(CO)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O)C(NC(C)=O)C2O)C(NC(C)=O)[C@H]1O.

What is the InChIKey of N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is PELBXIOURXZECK-KCRMEQAUSA-N. The full InChI is InChI=1S/C30H52N4O20/c1-8(39)32-16-21(44)24(12(5-36)48-27(16)47)53-29-18(34-10(3)41)23(46)26(14(7-38)51-29)54-30-17(33-9(2)40)22(45)25(13(6-37)50-30)52-28-15(31)20(43)19(42)11(4-35)49-28/h11-30,35-38,42-47H,4-7,31H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)/t11?,12?,13?,14?,15?,16?,17?,18?,19-,20-,21?,22?,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1.

What are the key properties of N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 788.75 g/mol, XLogP of -9.35, 13 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,5S)-5-[(2S,4R,5S)-3-acetamido-5-[(2S,5S)-3-acetamido-5-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91350200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).