N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C21H37NO15 — CID 67680734

IUPACN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@H](C)[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H37NO15/c1-5-10(25)14(29)18(37-20-9(22-7(3)24)12(27)11(26)8(4-23)35-20)21(33-5)34-6(2)17-15(30)13(28)16(31)19(32)36-17/h5-6,8-21,23,25-32H,4H2,1-3H3,(H,22,24)/t5-,6-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18+,19?,20+,21-/m1/s1
InChIKeyCDZPWRHCCGEYSM-KVBNNJGSSA-N
MW543.52 g/mol
LogP-6.01
Rot. Bonds7

About N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 67680734) has the molecular formula C21H37NO15 and a molecular weight of 543.52 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID67680734
Molecular FormulaC21H37NO15
Molecular Weight543.52 g/mol
Exact Mass543.22
IUPAC NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@H](C)[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H37NO15/c1-5-10(25)14(29)18(37-20-9(22-7(3)24)12(27)11(26)8(4-23)35-20)21(33-5)34-6(2)17-15(30)13(28)16(31)19(32)36-17/h5-6,8-21,23,25-32H,4H2,1-3H3,(H,22,24)/t5-,6-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18+,19?,20+,21-/m1/s1
InChIKeyCDZPWRHCCGEYSM-KVBNNJGSSA-N
XLogP-6.01
TPSA257.32 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500543.52
LogP ≤ 5-6.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1R)-1-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 91849672
N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-[hydroxy-[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 70355724
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 171933337
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91853010
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 175735798
N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91850487
N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91849165
N-[(2S,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide
CID 156615851
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]acetamide
CID 10384317
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]acetamide
CID 91860873
N-[(2R,5S)-2-[(2S,4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58741227
N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91861704

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 67680734) is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]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](C)[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](C)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is CDZPWRHCCGEYSM-KVBNNJGSSA-N. The full InChI is InChI=1S/C21H37NO15/c1-5-10(25)14(29)18(37-20-9(22-7(3)24)12(27)11(26)8(4-23)35-20)21(33-5)34-6(2)17-15(30)13(28)16(31)19(32)36-17/h5-6,8-21,23,25-32H,4H2,1-3H3,(H,22,24)/t5-,6-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18+,19?,20+,21-/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 543.52 g/mol, XLogP of -6.01, 7 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(1R)-1-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]ethoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 67680734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).