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

C19H36O6 — CID 118561897

IUPAC[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)24-14-15-17(21)18(22)19(23)25-15/h15,17-19,21-23H,2-14H2,1H3/t15-,17-,18-,19?/m1/s1
InChIKeyYLVLDKQBLRAYIK-WUDVTJOCSA-N
MW360.49 g/mol
LogP2.67
Rot. Bonds14

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

[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate (PubChem CID 118561897) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
PubChem CID118561897
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)24-14-15-17(21)18(22)19(23)25-15/h15,17-19,21-23H,2-14H2,1H3/t15-,17-,18-,19?/m1/s1
InChIKeyYLVLDKQBLRAYIK-WUDVTJOCSA-N
XLogP2.67
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(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,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octadec-9-enoate
CID 67314196
[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl decanoate
CID 67843310
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octadeca-9,12-dienoate
CID 67315235
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (9E,12E)-octadeca-9,12-dienoate
CID 10049011
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl octadecanoate
CID 11050316
[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
CID 11614682
[(2R,3S,4R,5S,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl octanoate
CID 69271413
[(2R,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 102065058
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl octanoate
CID 122216450

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate?
The IUPAC name of [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate (CID 118561897) is [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate.
What is the SMILES notation for [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate?
The canonical SMILES for [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate?
The InChIKey is YLVLDKQBLRAYIK-WUDVTJOCSA-N. The full InChI is InChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)24-14-15-17(21)18(22)19(23)25-15/h15,17-19,21-23H,2-14H2,1H3/t15-,17-,18-,19?/m1/s1.
What are the key properties of [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate?
[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate has a molecular weight of 360.49 g/mol, XLogP of 2.67, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate is sourced from PubChem (CID 118561897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).