(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide

C8H15NO7 — CID 127037128

IUPAC(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESO=C(NCCO)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO7/c10-2-1-9-7(14)5-4(12)6(13)8(15,3-11)16-5/h4-6,10-13,15H,1-3H2,(H,9,14)/t4-,5+,6+,8-/m1/s1
InChIKeyJLEHVJRJFHBLIQ-FZGKIIIMSA-N
MW237.21 g/mol
LogP-4.10
Rot. Bonds4

About (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide

(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide (PubChem CID 127037128) has the molecular formula C8H15NO7 and a molecular weight of 237.21 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide
PubChem CID127037128
Molecular FormulaC8H15NO7
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESO=C(NCCO)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO7/c10-2-1-9-7(14)5-4(12)6(13)8(15,3-11)16-5/h4-6,10-13,15H,1-3H2,(H,9,14)/t4-,5+,6+,8-/m1/s1
InChIKeyJLEHVJRJFHBLIQ-FZGKIIIMSA-N
XLogP-4.10
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.21
LogP ≤ 5-4.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

N-(2-Hydroxyethyl)hexonamide
CID 226311
N-Gluconyl ethanolamine
CID 53778435
N-(3-Methoxypropyl)-D-gluconamide
CID 130850
(2S,3S,4S,5R)-3,4,5-trihydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-(hydroxymethyl)oxolane-2-carboxamide
CID 127036595
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
CID 127036951
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 127037129
N-[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxooxolan-3-yl]acetamide
CID 230397
(2S)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44335204
(2R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44335507
(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354543
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354845
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 118710034

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide (CID 127037128) is (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide is O=C(NCCO)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide?
The InChIKey is JLEHVJRJFHBLIQ-FZGKIIIMSA-N. The full InChI is InChI=1S/C8H15NO7/c10-2-1-9-7(14)5-4(12)6(13)8(15,3-11)16-5/h4-6,10-13,15H,1-3H2,(H,9,14)/t4-,5+,6+,8-/m1/s1.
What are the key properties of (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide?
(2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide has a molecular weight of 237.21 g/mol, XLogP of -4.10, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3,4,5-trihydroxy-N-(2-hydroxyethyl)-5-(hydroxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 127037128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).