[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate

C17H26O8 — CID 141233879

IUPAC[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate
SMILESCCCCCCCC/C=C/C(=O)O[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C17H26O8/c1-2-3-4-5-6-7-8-9-10-12(19)25-17(23,11-18)15-13(20)14(21)16(22)24-15/h9-10,15,18,20-21,23H,2-8,11H2,1H3/b10-9+/t15-,17+/m0/s1
InChIKeyZLDFEXZTTAPZNK-ZMMKQQPBSA-N
MW358.39 g/mol
LogP1.77
Rot. Bonds11

About [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate

[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate (PubChem CID 141233879) has the molecular formula C17H26O8 and a molecular weight of 358.39 g/mol. Its IUPAC name is [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate.

Molecular Properties

Compound Name[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate
PubChem CID141233879
Molecular FormulaC17H26O8
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate
SMILESCCCCCCCC/C=C/C(=O)O[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C17H26O8/c1-2-3-4-5-6-7-8-9-10-12(19)25-17(23,11-18)15-13(20)14(21)16(22)24-15/h9-10,15,18,20-21,23H,2-8,11H2,1H3/b10-9+/t15-,17+/m0/s1
InChIKeyZLDFEXZTTAPZNK-ZMMKQQPBSA-N
XLogP1.77
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl dec-2-enoate
CID 71411738
undec-2-enoyl undec-2-enoate
CID 54428963
(1-chloro-2-methyl-1-oxopropan-2-yl) undec-2-enoate
CID 54299789
icos-1-enyl docos-2-enoate
CID 54494040
octadec-1-enyl icos-2-enoate
CID 53437848
[dimethyl(octadec-2-enoyloxy)silyl] octadec-2-enoate
CID 170848581
ethenyl nonacos-2-enoate
CID 139682901
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (E)-octadec-9-enoate
CID 54708297
ethyl (E)-octadec-2-enoate
CID 10913939
2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
CID 141004308
ethyl tridec-2-enoate
CID 54010960
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(Z)-tetradec-9-enoic acid
CID 172739544

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate?
The IUPAC name of [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate (CID 141233879) is [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate.
What is the SMILES notation for [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate?
The canonical SMILES for [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate is CCCCCCCC/C=C/C(=O)O[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate?
The InChIKey is ZLDFEXZTTAPZNK-ZMMKQQPBSA-N. The full InChI is InChI=1S/C17H26O8/c1-2-3-4-5-6-7-8-9-10-12(19)25-17(23,11-18)15-13(20)14(21)16(22)24-15/h9-10,15,18,20-21,23H,2-8,11H2,1H3/b10-9+/t15-,17+/m0/s1.
What are the key properties of [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate?
[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate has a molecular weight of 358.39 g/mol, XLogP of 1.77, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] (E)-undec-2-enoate is sourced from PubChem (CID 141233879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).