(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane

C19H35FO3 — CID 157064255

IUPAC(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
SMILESCCC1O[C@@H](OC2[C@@H](C)[C@H](C)C(CC)O[C@@H]2F)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C19H35FO3/c1-8-15-12(5)13(6)17(18(20)21-15)23-19-14(7)10(3)11(4)16(9-2)22-19/h10-19H,8-9H2,1-7H3/t10-,11-,12-,13-,14?,15?,16?,17?,18-,19-/m0/s1
InChIKeyABRNBERTAGWUNX-QHTVYDJCSA-N
MW330.48 g/mol
LogP4.79
Rot. Bonds4

About (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane

(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane (PubChem CID 157064255) has the molecular formula C19H35FO3 and a molecular weight of 330.48 g/mol. Its IUPAC name is (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane.

Molecular Properties

Compound Name(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
PubChem CID157064255
Molecular FormulaC19H35FO3
Molecular Weight330.48 g/mol
Exact Mass330.26
IUPAC Name(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
SMILESCCC1O[C@@H](OC2[C@@H](C)[C@H](C)C(CC)O[C@@H]2F)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C19H35FO3/c1-8-15-12(5)13(6)17(18(20)21-15)23-19-14(7)10(3)11(4)16(9-2)22-19/h10-19H,8-9H2,1-7H3/t10-,11-,12-,13-,14?,15?,16?,17?,18-,19-/m0/s1
InChIKeyABRNBERTAGWUNX-QHTVYDJCSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane?
The IUPAC name of (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane (CID 157064255) is (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane.
What is the SMILES notation for (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane?
The canonical SMILES for (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane is CCC1O[C@@H](OC2[C@@H](C)[C@H](C)C(CC)O[C@@H]2F)C(C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane?
The InChIKey is ABRNBERTAGWUNX-QHTVYDJCSA-N. The full InChI is InChI=1S/C19H35FO3/c1-8-15-12(5)13(6)17(18(20)21-15)23-19-14(7)10(3)11(4)16(9-2)22-19/h10-19H,8-9H2,1-7H3/t10-,11-,12-,13-,14?,15?,16?,17?,18-,19-/m0/s1.
What are the key properties of (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane?
(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane has a molecular weight of 330.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane is sourced from PubChem (CID 157064255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).