[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate

C19H30O7 — CID 140580433

IUPAC[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate
SMILESCC(C)CC1CCC([C@H](C)C(=O)OC[C@H](O)[C@H]2OC(=O)C(O)=C2O)CC1
InChIInChI=1S/C19H30O7/c1-10(2)8-12-4-6-13(7-5-12)11(3)18(23)25-9-14(20)17-15(21)16(22)19(24)26-17/h10-14,17,20-22H,4-9H2,1-3H3/t11-,12?,13?,14-,17+/m0/s1
InChIKeyLDMRPALBOKYFOA-HOTGEMCPSA-N
MW370.44 g/mol
LogP2.63
Rot. Bonds7

About [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate

[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate (PubChem CID 140580433) has the molecular formula C19H30O7 and a molecular weight of 370.44 g/mol. Its IUPAC name is [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate.

Molecular Properties

Compound Name[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate
PubChem CID140580433
Molecular FormulaC19H30O7
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Name[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate
SMILESCC(C)CC1CCC([C@H](C)C(=O)OC[C@H](O)[C@H]2OC(=O)C(O)=C2O)CC1
InChIInChI=1S/C19H30O7/c1-10(2)8-12-4-6-13(7-5-12)11(3)18(23)25-9-14(20)17-15(21)16(22)19(24)26-17/h10-14,17,20-22H,4-9H2,1-3H3/t11-,12?,13?,14-,17+/m0/s1
InChIKeyLDMRPALBOKYFOA-HOTGEMCPSA-N
XLogP2.63
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate 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

[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] propanoate
CID 71656699
[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] butanoate
CID 54751650
(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one
CID 54685948
bis[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] dodecanedioate
CID 54750751
[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 4-aminobenzoate
CID 67679607
[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54744132
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexanoate
CID 54728364
8-O-[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 1-O-methyl octanedioate
CID 177394903
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] decanoate
CID 54720211
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate
CID 54725318
[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] (9E,11E)-octadeca-9,11-dienoate
CID 54686379
[2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 54721080

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate?
The IUPAC name of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate (CID 140580433) is [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate.
What is the SMILES notation for [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate?
The canonical SMILES for [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate is CC(C)CC1CCC([C@H](C)C(=O)OC[C@H](O)[C@H]2OC(=O)C(O)=C2O)CC1.
What is the InChIKey of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate?
The InChIKey is LDMRPALBOKYFOA-HOTGEMCPSA-N. The full InChI is InChI=1S/C19H30O7/c1-10(2)8-12-4-6-13(7-5-12)11(3)18(23)25-9-14(20)17-15(21)16(22)19(24)26-17/h10-14,17,20-22H,4-9H2,1-3H3/t11-,12?,13?,14-,17+/m0/s1.
What are the key properties of [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate?
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate has a molecular weight of 370.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2-[4-(2-methylpropyl)cyclohexyl]propanoate is sourced from PubChem (CID 140580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).