(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C16H25FO5 — CID 146018800

IUPAC(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1F
InChIInChI=1S/C16H25FO5/c1-5-8-19-11-12-13(17)14(20-9-6-2)15(21-10-7-3)16(18-4)22-12/h5-7,12-16H,1-3,8-11H2,4H3/t12-,13-,14+,15-,16+/m1/s1
InChIKeySHRMEZHRZJGZHD-LJIZCISZSA-N
MW316.37 g/mol
LogP2.04
Rot. Bonds11

About (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 146018800) has the molecular formula C16H25FO5 and a molecular weight of 316.37 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID146018800
Molecular FormulaC16H25FO5
Molecular Weight316.37 g/mol
Exact Mass316.17
IUPAC Name(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1F
InChIInChI=1S/C16H25FO5/c1-5-8-19-11-12-13(17)14(20-9-6-2)15(21-10-7-3)16(18-4)22-12/h5-7,12-16H,1-3,8-11H2,4H3/t12-,13-,14+,15-,16+/m1/s1
InChIKeySHRMEZHRZJGZHD-LJIZCISZSA-N
XLogP2.04
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 146018800) is (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1F.
What is the InChIKey of (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is SHRMEZHRZJGZHD-LJIZCISZSA-N. The full InChI is InChI=1S/C16H25FO5/c1-5-8-19-11-12-13(17)14(20-9-6-2)15(21-10-7-3)16(18-4)22-12/h5-7,12-16H,1-3,8-11H2,4H3/t12-,13-,14+,15-,16+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 316.37 g/mol, XLogP of 2.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 146018800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).