N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C21H37NO14 — CID 67680767

IUPACN-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C21H37NO14/c1-7-13(26)14(27)18(36-20-12(22-8(2)24)10(25)4-9(5-23)34-20)21(33-7)32-6-11-17(31-3)15(28)16(29)19(30)35-11/h7,9-21,23,25-30H,4-6H2,1-3H3,(H,22,24)/t7-,9+,10+,11-,12+,13-,14+,15-,16-,17-,18+,19+,20+,21-/m1/s1
InChIKeyNYJLZJFOQZYIOD-IBDCRWFSSA-N
MW527.52 g/mol
LogP-4.72
Rot. Bonds8

About N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 67680767) has the molecular formula C21H37NO14 and a molecular weight of 527.52 g/mol. Its IUPAC name is N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID67680767
Molecular FormulaC21H37NO14
Molecular Weight527.52 g/mol
Exact Mass527.22
IUPAC NameN-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C21H37NO14/c1-7-13(26)14(27)18(36-20-12(22-8(2)24)10(25)4-9(5-23)34-20)21(33-7)32-6-11-17(31-3)15(28)16(29)19(30)35-11/h7,9-21,23,25-30H,4-6H2,1-3H3,(H,22,24)/t7-,9+,10+,11-,12+,13-,14+,15-,16-,17-,18+,19+,20+,21-/m1/s1
InChIKeyNYJLZJFOQZYIOD-IBDCRWFSSA-N
XLogP-4.72
TPSA226.09 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500527.52
LogP ≤ 5-4.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-2,3-dihydroxy-5-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91845965
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-[[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91858810
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5S,6R)-6-[[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
CID 156617306
N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 102256251
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,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-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide
CID 91855629
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
CID 91862187
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
CID 25061694
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91859217
N-[(2R,3S,4S,5R,6S)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 10482016
N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
CID 91856214
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-4-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-5-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
CID 91861342
N-[4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 118494513

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 67680767) is N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)C[C@H](O)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is NYJLZJFOQZYIOD-IBDCRWFSSA-N. The full InChI is InChI=1S/C21H37NO14/c1-7-13(26)14(27)18(36-20-12(22-8(2)24)10(25)4-9(5-23)34-20)21(33-7)32-6-11-17(31-3)15(28)16(29)19(30)35-11/h7,9-21,23,25-30H,4-6H2,1-3H3,(H,22,24)/t7-,9+,10+,11-,12+,13-,14+,15-,16-,17-,18+,19+,20+,21-/m1/s1.
What are the key properties of N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 527.52 g/mol, XLogP of -4.72, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S,6S)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 67680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).