[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate

C15H24O7 — CID 10781671

IUPAC[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate
SMILESC=CCCCCCC(=O)CC(=O)OCC(=O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C15H24O7/c1-2-3-4-5-6-7-11(17)8-14(20)22-10-13(19)15(21)12(18)9-16/h2,12,15-16,18,21H,1,3-10H2/t12-,15+/m1/s1
InChIKeyDWZVTGLYADFQLM-DOMZBBRYSA-N
MW316.35 g/mol
LogP-0.09
Rot. Bonds13

About [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate

[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate (PubChem CID 10781671) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate.

Molecular Properties

Compound Name[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate
PubChem CID10781671
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate
SMILESC=CCCCCCC(=O)CC(=O)OCC(=O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C15H24O7/c1-2-3-4-5-6-7-11(17)8-14(20)22-10-13(19)15(21)12(18)9-16/h2,12,15-16,18,21H,1,3-10H2/t12-,15+/m1/s1
InChIKeyDWZVTGLYADFQLM-DOMZBBRYSA-N
XLogP-0.09
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate 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

Allyl glucuronic acid
CID 71307270
6-O-undecylenoyl d-glucose
CID 129689776
Allyl-d-glucuronic acid
CID 129851154
d,l-Xylitol, 1-O-undec-10-enoyl-
CID 543364
2,3-Dihydroxypropanoyl undec-10-enoate
CID 22325969
[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] octadec-9-enoate
CID 53971135
[(3R,4S,5R,6R)-4,5,6,7-tetrahydroxy-2-oxoheptan-3-yl] octadec-9-enoate
CID 54536856
2-[(2R,3S,4S)-1,2,3,6-tetrahydroxy-5-oxonon-8-en-4-yl]oxyacetic acid
CID 57287790
(8,10-Dihydroxy-7,11-dioxoheptadeca-1,16-dien-9-yl) hept-6-enoate
CID 60076726
1-C-allyl-3-O-carboxymethylgalactose
CID 86753222
[(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] (Z)-octadec-9-enoate
CID 87060575
ethene;[(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] (Z)-octadec-9-enoate
CID 87091261

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate?
The IUPAC name of [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate (CID 10781671) is [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate.
What is the SMILES notation for [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate?
The canonical SMILES for [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate is C=CCCCCCC(=O)CC(=O)OCC(=O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate?
The InChIKey is DWZVTGLYADFQLM-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24O7/c1-2-3-4-5-6-7-11(17)8-14(20)22-10-13(19)15(21)12(18)9-16/h2,12,15-16,18,21H,1,3-10H2/t12-,15+/m1/s1.
What are the key properties of [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate?
[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate has a molecular weight of 316.35 g/mol, XLogP of -0.09, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 3-oxodec-9-enoate is sourced from PubChem (CID 10781671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).