[(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate

C26H48O8 — CID 101270280

IUPAC[(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate
SMILESCCCCCCCCCC(=O)OC[C@H]1O[C@](O)(COC(=O)CCCCCCCCC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H48O8/c1-3-5-7-9-11-13-15-17-22(27)32-19-21-24(29)25(30)26(31,34-21)20-33-23(28)18-16-14-12-10-8-6-4-2/h21,24-25,29-31H,3-20H2,1-2H3/t21-,24-,25+,26-/m1/s1
InChIKeyHNIFZUCWKMWKSF-ATPOPXNDSA-N
MW488.66 g/mol
LogP4.16
Rot. Bonds20

About [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate

[(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate (PubChem CID 101270280) has the molecular formula C26H48O8 and a molecular weight of 488.66 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate
PubChem CID101270280
Molecular FormulaC26H48O8
Molecular Weight488.66 g/mol
Exact Mass488.33
IUPAC Name[(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate
SMILESCCCCCCCCCC(=O)OC[C@H]1O[C@](O)(COC(=O)CCCCCCCCC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H48O8/c1-3-5-7-9-11-13-15-17-22(27)32-19-21-24(29)25(30)26(31,34-21)20-33-23(28)18-16-14-12-10-8-6-4-2/h21,24-25,29-31H,3-20H2,1-2H3/t21-,24-,25+,26-/m1/s1
InChIKeyHNIFZUCWKMWKSF-ATPOPXNDSA-N
XLogP4.16
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
CID 118561897
[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octanoate
CID 101360009
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dodecanoate
CID 10193765
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyoxolan-2-yl]methyl nonanoate
CID 20836624
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hexadecanoate
CID 125029371
[3,4-dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octanoate
CID 23644334
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(2R,3S,4S)-3,4-dihydroxy-5-oxooxan-2-yl]methyl hexadecanoate
CID 11025777
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219584
[(2S,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219609
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl octadecanoate
CID 11070574
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl decanoate
CID 10860995

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate?
The IUPAC name of [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate (CID 101270280) is [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate.
What is the SMILES notation for [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate?
The canonical SMILES for [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate is CCCCCCCCCC(=O)OC[C@H]1O[C@](O)(COC(=O)CCCCCCCCC)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate?
The InChIKey is HNIFZUCWKMWKSF-ATPOPXNDSA-N. The full InChI is InChI=1S/C26H48O8/c1-3-5-7-9-11-13-15-17-22(27)32-19-21-24(29)25(30)26(31,34-21)20-33-23(28)18-16-14-12-10-8-6-4-2/h21,24-25,29-31H,3-20H2,1-2H3/t21-,24-,25+,26-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate?
[(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate has a molecular weight of 488.66 g/mol, XLogP of 4.16, 20 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-(decanoyloxymethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl decanoate is sourced from PubChem (CID 101270280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).