(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate

C19H29NO10 — CID 149182325

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate
SMILESC[C@@H]1O[C@@H](OCCCC(=O)CCCCC(=O)ON2C(=O)CCC2=O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H29NO10/c1-11-16(25)17(26)18(27)19(29-11)28-10-4-6-12(21)5-2-3-7-15(24)30-20-13(22)8-9-14(20)23/h11,16-19,25-27H,2-10H2,1H3/t11-,16+,17+,18-,19+/m0/s1
InChIKeyXBEYXONKMKFAGV-SLFTXUSXSA-N
MW431.44 g/mol
LogP-0.65
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate

(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate (PubChem CID 149182325) has the molecular formula C19H29NO10 and a molecular weight of 431.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate
PubChem CID149182325
Molecular FormulaC19H29NO10
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate
SMILESC[C@@H]1O[C@@H](OCCCC(=O)CCCCC(=O)ON2C(=O)CCC2=O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H29NO10/c1-11-16(25)17(26)18(27)19(29-11)28-10-4-6-12(21)5-2-3-7-15(24)30-20-13(22)8-9-14(20)23/h11,16-19,25-27H,2-10H2,1H3/t11-,16+,17+,18-,19+/m0/s1
InChIKeyXBEYXONKMKFAGV-SLFTXUSXSA-N
XLogP-0.65
TPSA159.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
CID 102588416
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[bis[2-[6-[[2-[bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]hexylamino]-2-oxoethyl]amino]acetyl]amino]hexanoate
CID 175889379
(2,5-dioxopyrrolidin-1-yl) 9-oxo-9-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]nonanoate
CID 118013660
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-5-[[(2S)-1,5-dioxo-1,5-bis[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]pentan-2-yl]amino]-1,5-dioxo-1-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]pentan-2-yl]amino]-6-oxohexanoate
CID 164830245
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[[2-[[9-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-oxononyl]amino]-2-oxoethyl]-[2-oxo-2-[5-[[2-[[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]-[2-oxo-2-[2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]pentylamino]ethyl]amino]acetyl]amino]hexanoate
CID 159178908
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-2,6-bis[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexanoyl]amino]hexanoyl]amino]hexanoate
CID 118013662
(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanoate
CID 118002179
(2,5-dioxopyrrolidin-1-yl) 6-oxo-6-[3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]propyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanoate
CID 152798495
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[[2-[5-[[2-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]pentylamino]-2-oxoethyl]-[2-oxo-2-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexyl]amino]ethyl]amino]acetyl]amino]hexanoate
CID 135338028
actinium;methyl 6-[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanoate
CID 59891658
(2,5-dioxopyrrolidin-1-yl) (9S)-9-[[(2R)-2-[4-[[(12S)-12-[bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]-6,13-dioxo-13-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]tridecanoyl]amino]butyl]-4,9-dioxo-9-[[(5S)-6-oxo-5-[[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]-[2-oxo-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl]amino]-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexyl]amino]nonanoyl]amino]-13-[[6-[[(5S)-5-[bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexyl]amino]-6-oxohexanoyl]amino]-8-oxotridecanoate
CID 167682990
(2,5-dioxopyrrolidin-1-yl) 6-[[1,3-bis[13-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[13-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]propan-2-yl]amino]-6-oxohexanoate
CID 161213793

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate (CID 149182325) is (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate is C[C@@H]1O[C@@H](OCCCC(=O)CCCCC(=O)ON2C(=O)CCC2=O)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate?
The InChIKey is XBEYXONKMKFAGV-SLFTXUSXSA-N. The full InChI is InChI=1S/C19H29NO10/c1-11-16(25)17(26)18(27)19(29-11)28-10-4-6-12(21)5-2-3-7-15(24)30-20-13(22)8-9-14(20)23/h11,16-19,25-27H,2-10H2,1H3/t11-,16+,17+,18-,19+/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate?
(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate has a molecular weight of 431.44 g/mol, XLogP of -0.65, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate is sourced from PubChem (CID 149182325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).