N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C18H23NO8 — CID 124746431

IUPACN-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H23NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,11-13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t11-,12-,13+,15-,16-,17+,18+/m0/s1
InChIKeyLLFCSUYBSLLXPO-GCLULJIHSA-N
MW381.38 g/mol
LogP-1.11
Rot. Bonds4

About N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 124746431) has the molecular formula C18H23NO8 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID124746431
Molecular FormulaC18H23NO8
Molecular Weight381.38 g/mol
Exact Mass381.14
IUPAC NameN-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H23NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,11-13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t11-,12-,13+,15-,16-,17+,18+/m0/s1
InChIKeyLLFCSUYBSLLXPO-GCLULJIHSA-N
XLogP-1.11
TPSA134.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2R,3R,4S,5S,6S)-2-[[(4aS,8aS)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 51678188
[(2R,3S,4R,5R,6S)-6-[[(4aR,8aS)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-5-acetamido-3,4-diacetyloxyoxan-2-yl]methyl acetate
CID 98299134
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3-methyl-5-oxo-2H-furan-2-yl)oxy]oxan-3-yl]acetamide
CID 11449926
N-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methylphenoxy)oxan-3-yl]acetamide
CID 124762777
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methylphenoxy)oxan-3-yl]acetamide
CID 3126954
N-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 71717834
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 6988277
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 70894255
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 6542879
N-[(3S)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 153314272
N-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 70894252
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 124746431) is N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1[C@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is LLFCSUYBSLLXPO-GCLULJIHSA-N. The full InChI is InChI=1S/C18H23NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,11-13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t11-,12-,13+,15-,16-,17+,18+/m0/s1.
What are the key properties of N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 381.38 g/mol, XLogP of -1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5R,6R)-2-[[(4aS,8aR)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 124746431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).