N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide

C26H45NO17 — CID 91846690

About N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide

N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide (PubChem CID 91846690) has the molecular formula C26H45NO17 and a molecular weight of 643.64 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
• PubChem CID: 91846690
• Molecular Formula: C26H45NO17
• Molecular Weight: 643.64 g/mol
• Exact Mass: 643.27
• IUPAC Name: N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
• SMILES: CC(=O)N[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](C)OC(O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O
• InChI: InChI=1S/C26H45NO17/c1-6-12(29)11(27-10(5)28)16(33)24(39-6)43-21-14(31)8(3)41-26(18(21)35)44-22-15(32)9(4)40-25(19(22)36)42-20-13(30)7(2)38-23(37)17(20)34/h6-9,11-26,29-37H,1-5H3,(H,27,28)/t6-,7+,8+,9+,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25+,26+/m1/s1
• InChIKey: WEUXDPOPVVDPGG-VIJJTNFBSA-N
• XLogP: -5.49
• TPSA: 275.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	643.64
LogP ≤ 5	-5.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The IUPAC name of N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide (CID 91846690) is N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide is CC(=O)N[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@H](C)OC(O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O.

What is the InChIKey of N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The InChIKey is WEUXDPOPVVDPGG-VIJJTNFBSA-N. The full InChI is InChI=1S/C26H45NO17/c1-6-12(29)11(27-10(5)28)16(33)24(39-6)43-21-14(31)8(3)41-26(18(21)35)44-22-15(32)9(4)40-25(19(22)36)42-20-13(30)7(2)38-23(37)17(20)34/h6-9,11-26,29-37H,1-5H3,(H,27,28)/t6-,7+,8+,9+,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25+,26+/m1/s1.

What are the key properties of N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide has a molecular weight of 643.64 g/mol, XLogP of -5.49, 7 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide is sourced from PubChem (CID 91846690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).