1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione

C10H15NO7 — CID 139757906

IUPAC1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15NO7/c12-3-4-8(15)9(16)7(10(17)18-4)11-5(13)1-2-6(11)14/h4,7-10,12,15-17H,1-3H2/t4-,7-,8+,9-,10?/m1/s1
InChIKeyJOEDGDJPKZTQTJ-LIPFMBKLSA-N
MW261.23 g/mol
LogP-3.06
Rot. Bonds2

About 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione

1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione (PubChem CID 139757906) has the molecular formula C10H15NO7 and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione
PubChem CID139757906
Molecular FormulaC10H15NO7
Molecular Weight261.23 g/mol
Exact Mass261.08
IUPAC Name1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15NO7/c12-3-4-8(15)9(16)7(10(17)18-4)11-5(13)1-2-6(11)14/h4,7-10,12,15-17H,1-3H2/t4-,7-,8+,9-,10?/m1/s1
InChIKeyJOEDGDJPKZTQTJ-LIPFMBKLSA-N
XLogP-3.06
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-3.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrolidine-2,5-dione
CID 175151629
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione (CID 139757906) is 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione?
The InChIKey is JOEDGDJPKZTQTJ-LIPFMBKLSA-N. The full InChI is InChI=1S/C10H15NO7/c12-3-4-8(15)9(16)7(10(17)18-4)11-5(13)1-2-6(11)14/h4,7-10,12,15-17H,1-3H2/t4-,7-,8+,9-,10?/m1/s1.
What are the key properties of 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione?
1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione has a molecular weight of 261.23 g/mol, XLogP of -3.06, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139757906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).