(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate

C10H15NO9 — CID 169440967

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
SMILESO=C(ON1C(=O)CCC1=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C10H15NO9/c12-3-4(13)7(16)8(17)9(18)10(19)20-11-5(14)1-2-6(11)15/h4,7-9,12-13,16-18H,1-3H2/t4-,7-,8+,9-/m0/s1
InChIKeyWVOMYMWZGZEKSM-GXVAALLTSA-N
MW293.23 g/mol
LogP-3.97
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate

(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate (PubChem CID 169440967) has the molecular formula C10H15NO9 and a molecular weight of 293.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
PubChem CID169440967
Molecular FormulaC10H15NO9
Molecular Weight293.23 g/mol
Exact Mass293.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
SMILESO=C(ON1C(=O)CCC1=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C10H15NO9/c12-3-4(13)7(16)8(17)9(18)10(19)20-11-5(14)1-2-6(11)15/h4,7-9,12-13,16-18H,1-3H2/t4-,7-,8+,9-/m0/s1
InChIKeyWVOMYMWZGZEKSM-GXVAALLTSA-N
XLogP-3.97
TPSA164.83 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 5-3.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl] (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174757733
methyl (2S,3R,4R)-2,3,4,5,6-pentahydroxyhexanoate
CID 122443560
sodium;hydride;[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 173465428
bis(2,5-dioxopyrrolidin-1-yl) 2-hydroxy-3-sulfooxybutanedioate
CID 18401347
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 90401514
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
[4-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphenyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 67241631
[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxysulfonyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174384269
ethyl (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 54186591
(2,5-dioxopyrrolidin-1-yl) (2S)-2,4-diamino-4-oxobutanoate
CID 130454141
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanethioic S-acid
CID 141273076

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate (CID 169440967) is (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate is O=C(ON1C(=O)CCC1=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate?
The InChIKey is WVOMYMWZGZEKSM-GXVAALLTSA-N. The full InChI is InChI=1S/C10H15NO9/c12-3-4(13)7(16)8(17)9(18)10(19)20-11-5(14)1-2-6(11)15/h4,7-9,12-13,16-18H,1-3H2/t4-,7-,8+,9-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate?
(2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate has a molecular weight of 293.23 g/mol, XLogP of -3.97, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate is sourced from PubChem (CID 169440967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).