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

C9H17NO7 — CID 118274787

IUPACN-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide
SMILESCO[C@@H]1[C@H](ONC(C)=O)[C@H](O)C(CO)O[C@@H]1O
InChIInChI=1S/C9H17NO7/c1-4(12)10-17-7-6(13)5(3-11)16-9(14)8(7)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6-,7-,8-,9+/m1/s1
InChIKeyIUZURAPLKKOXFE-RFLWSCKQSA-N
MW251.23 g/mol
LogP-2.49
Rot. Bonds4

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

N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide (PubChem CID 118274787) has the molecular formula C9H17NO7 and a molecular weight of 251.23 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide
PubChem CID118274787
Molecular FormulaC9H17NO7
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC NameN-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide
SMILESCO[C@@H]1[C@H](ONC(C)=O)[C@H](O)C(CO)O[C@@H]1O
InChIInChI=1S/C9H17NO7/c1-4(12)10-17-7-6(13)5(3-11)16-9(14)8(7)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6-,7-,8-,9+/m1/s1
InChIKeyIUZURAPLKKOXFE-RFLWSCKQSA-N
XLogP-2.49
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2R,3R,4R,5R)-4-aminooxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
CID 118274798
N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
(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
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 21126495
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide?
The IUPAC name of N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide (CID 118274787) is N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide?
The canonical SMILES for N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide is CO[C@@H]1[C@H](ONC(C)=O)[C@H](O)C(CO)O[C@@H]1O.
What is the InChIKey of N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide?
The InChIKey is IUZURAPLKKOXFE-RFLWSCKQSA-N. The full InChI is InChI=1S/C9H17NO7/c1-4(12)10-17-7-6(13)5(3-11)16-9(14)8(7)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6-,7-,8-,9+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide?
N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide has a molecular weight of 251.23 g/mol, XLogP of -2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-yl]oxyacetamide is sourced from PubChem (CID 118274787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).