(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol

C8H13FO5 — CID 135045633

IUPAC(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC/C(F)=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H13FO5/c1-3(9)8-7(13)6(12)5(11)4(2-10)14-8/h4-7,10-13H,2H2,1H3/b8-3-/t4-,5-,6+,7-/m1/s1
InChIKeyIAMITEAJFJZWCN-ISQSADDKSA-N
MW208.18 g/mol
LogP-1.34
Rot. Bonds1

About (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol

(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 135045633) has the molecular formula C8H13FO5 and a molecular weight of 208.18 g/mol. Its IUPAC name is (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID135045633
Molecular FormulaC8H13FO5
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC/C(F)=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H13FO5/c1-3(9)8-7(13)6(12)5(11)4(2-10)14-8/h4-7,10-13H,2H2,1H3/b8-3-/t4-,5-,6+,7-/m1/s1
InChIKeyIAMITEAJFJZWCN-ISQSADDKSA-N
XLogP-1.34
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

3,7-Anhydro-1,2-dideoxygluco-oct-2-enitol
CID 6438548
3,7-Anhydro-1,2-dideoxygalacto-oct-2-enitol
CID 6444122
(2E,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 78210126
(2Z,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033224
(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033373
(2E,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033484
(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135045784
(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol
CID 140533243
(6R)-6-(3-fluoropropoxy)cyclohex-2-ene-1,2,3,4,5-pentol
CID 145649753
(2R,3S,4S,5R,6E)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
CID 78210125
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033372
(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol
CID 135045649

Frequently Asked Questions

What is the IUPAC name of (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 135045633) is (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol is C/C(F)=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is IAMITEAJFJZWCN-ISQSADDKSA-N. The full InChI is InChI=1S/C8H13FO5/c1-3(9)8-7(13)6(12)5(11)4(2-10)14-8/h4-7,10-13H,2H2,1H3/b8-3-/t4-,5-,6+,7-/m1/s1.
What are the key properties of (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 208.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 135045633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).