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

C30H52N4O19 — CID 130314740

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

N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 130314740) has the molecular formula C30H52N4O19 and a molecular weight of 772.75 g/mol. Its IUPAC name is N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 130314740
• Molecular Formula: C30H52N4O19
• Molecular Weight: 772.75 g/mol
• Exact Mass: 772.32
• IUPAC Name: N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1CO[C@@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4N)C(O)[C@H]3NC(C)=O)C(O)[C@H]2NC(C)=O)C1O
• InChI: InChI=1S/C30H52N4O19/c1-9(39)32-12-8-47-14(5-36)25(20(12)42)52-29-19(34-11(3)41)24(46)27(16(7-38)50-29)53-30-18(33-10(2)40)23(45)26(15(6-37)49-30)51-28-17(31)22(44)21(43)13(4-35)48-28/h12-30,35-38,42-46H,4-8,31H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)/t12-,13+,14-,15-,16+,17+,18+,19+,20?,21+,22?,23?,24?,25+,26+,27+,28-,29-,30-/m0/s1
• InChIKey: HCDSFHGAUUAAKI-JTVWEHGFSA-N
• XLogP: -8.67
• TPSA: 360.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	772.75
LogP ≤ 5	-8.67
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 130314740) is N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

The canonical SMILES for N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1CO[C@@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4N)C(O)[C@H]3NC(C)=O)C(O)[C@H]2NC(C)=O)C1O.

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

The InChIKey is HCDSFHGAUUAAKI-JTVWEHGFSA-N. The full InChI is InChI=1S/C30H52N4O19/c1-9(39)32-12-8-47-14(5-36)25(20(12)42)52-29-19(34-11(3)41)24(46)27(16(7-38)50-29)53-30-18(33-10(2)40)23(45)26(15(6-37)49-30)51-28-17(31)22(44)21(43)13(4-35)48-28/h12-30,35-38,42-46H,4-8,31H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)/t12-,13+,14-,15-,16+,17+,18+,19+,20?,21+,22?,23?,24?,25+,26+,27+,28-,29-,30-/m0/s1.

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

N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 772.75 g/mol, XLogP of -8.67, 13 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,5S,6S)-5-[(2S,3R,5S,6R)-3-acetamido-5-[(2S,3R,5S,6S)-3-acetamido-5-[(2S,3R,5S,6R)-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-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 130314740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).