N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide

C12H23NO6 — CID 141343492

IUPACN-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide
SMILESCO[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)CC(C)C
InChIInChI=1S/C12H23NO6/c1-6(2)4-8(15)13-9-11(18-3)10(16)7(5-14)19-12(9)17/h6-7,9-12,14,16-17H,4-5H2,1-3H3,(H,13,15)/t7-,9-,10-,11-,12+/m1/s1
InChIKeyUOXUDUOHJDPNCC-RGHQJQCBSA-N
MW277.32 g/mol
LogP-1.40
Rot. Bonds5

About N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide

N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide (PubChem CID 141343492) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide
PubChem CID141343492
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC NameN-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide
SMILESCO[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)CC(C)C
InChIInChI=1S/C12H23NO6/c1-6(2)4-8(15)13-9-11(18-3)10(16)7(5-14)19-12(9)17/h6-7,9-12,14,16-17H,4-5H2,1-3H3,(H,13,15)/t7-,9-,10-,11-,12+/m1/s1
InChIKeyUOXUDUOHJDPNCC-RGHQJQCBSA-N
XLogP-1.40
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide with MolForge

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Related Compounds

N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
(2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 7058171
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811
2-methoxy-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 90352180
2-methoxy-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 122524880
N-[(2S,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
CID 23380361
[(2S,3R,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 40592500
[(2R,3S,4S,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 95304130
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide (CID 141343492) is N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide is CO[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)CC(C)C.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide?
The InChIKey is UOXUDUOHJDPNCC-RGHQJQCBSA-N. The full InChI is InChI=1S/C12H23NO6/c1-6(2)4-8(15)13-9-11(18-3)10(16)7(5-14)19-12(9)17/h6-7,9-12,14,16-17H,4-5H2,1-3H3,(H,13,15)/t7-,9-,10-,11-,12+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide?
N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide has a molecular weight of 277.32 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]-3-methylbutanamide is sourced from PubChem (CID 141343492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).