(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane

C10H19FO5 — CID 102323120

IUPAC(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@H](F)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H19FO5/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-10H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1
InChIKeyYKDWHNKMGXNRMN-ZJDVBMNYSA-N
MW238.25 g/mol
LogP0.37
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane

(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 102323120) has the molecular formula C10H19FO5 and a molecular weight of 238.25 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID102323120
Molecular FormulaC10H19FO5
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@H](F)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H19FO5/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-10H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1
InChIKeyYKDWHNKMGXNRMN-ZJDVBMNYSA-N
XLogP0.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 102323120) is (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane is COC[C@H]1O[C@H](F)[C@@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is YKDWHNKMGXNRMN-ZJDVBMNYSA-N. The full InChI is InChI=1S/C10H19FO5/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-10H,5H2,1-4H3/t6-,7-,8+,9+,10+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
(2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 238.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-fluoro-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 102323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).