6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide

C9H17NO6 — CID 163533173

IUPAC6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide
SMILESCNC(=O)C1OC(C)OC(C(O)CO)C1O
InChIInChI=1S/C9H17NO6/c1-4-15-7(5(12)3-11)6(13)8(16-4)9(14)10-2/h4-8,11-13H,3H2,1-2H3,(H,10,14)
InChIKeyDUSGDCZAJXJONW-UHFFFAOYSA-N
MW235.24 g/mol
LogP-2.42
Rot. Bonds3

About 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide

6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide (PubChem CID 163533173) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide.

Molecular Properties

Compound Name6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide
PubChem CID163533173
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide
SMILESCNC(=O)C1OC(C)OC(C(O)CO)C1O
InChIInChI=1S/C9H17NO6/c1-4-15-7(5(12)3-11)6(13)8(16-4)9(14)10-2/h4-8,11-13H,3H2,1-2H3,(H,10,14)
InChIKeyDUSGDCZAJXJONW-UHFFFAOYSA-N
XLogP-2.42
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 161397245
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 118332800
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
1-[(2R,3S,4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 102214632
(4S,5R,6S)-2-(3,4-dichlorophenyl)-6-[(1S)-1,2-dihydroxyethyl]-N-ethyl-5-hydroxy-1,3-dioxane-4-carboxamide
CID 132916473
N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573707
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide?
The IUPAC name of 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide (CID 163533173) is 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide.
What is the SMILES notation for 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide?
The canonical SMILES for 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide is CNC(=O)C1OC(C)OC(C(O)CO)C1O.
What is the InChIKey of 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide?
The InChIKey is DUSGDCZAJXJONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c1-4-15-7(5(12)3-11)6(13)8(16-4)9(14)10-2/h4-8,11-13H,3H2,1-2H3,(H,10,14).
What are the key properties of 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide?
6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide has a molecular weight of 235.24 g/mol, XLogP of -2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroxyethyl)-5-hydroxy-N,2-dimethyl-1,3-dioxane-4-carboxamide is sourced from PubChem (CID 163533173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).