(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol

C11H19FO5 — CID 135045784

IUPAC(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCC/C(F)=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H19FO5/c1-2-3-4-6(12)11-10(16)9(15)8(14)7(5-13)17-11/h7-10,13-16H,2-5H2,1H3/b11-6+/t7-,8-,9+,10-/m1/s1
InChIKeyZJYVQHRJJWYZIH-FTAADRSNSA-N
MW250.27 g/mol
LogP-0.17
Rot. Bonds4

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

(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 135045784) has the molecular formula C11H19FO5 and a molecular weight of 250.27 g/mol. Its IUPAC name is (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID135045784
Molecular FormulaC11H19FO5
Molecular Weight250.27 g/mol
Exact Mass250.12
IUPAC Name(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCC/C(F)=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H19FO5/c1-2-3-4-6(12)11-10(16)9(15)8(14)7(5-13)17-11/h7-10,13-16H,2-5H2,1H3/b11-6+/t7-,8-,9+,10-/m1/s1
InChIKeyZJYVQHRJJWYZIH-FTAADRSNSA-N
XLogP-0.17
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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
(2Z,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135045633
Diisopropylidenefructopyranose
CID 70617812
(3R,4R,5R,6R)-2-(difluoromethylidene)-4,5-dimethoxy-6-(methoxymethyl)oxan-3-ol
CID 68043566
(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

Frequently Asked Questions

What is the IUPAC name of (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 135045784) is (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol is CCCC/C(F)=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ZJYVQHRJJWYZIH-FTAADRSNSA-N. The full InChI is InChI=1S/C11H19FO5/c1-2-3-4-6(12)11-10(16)9(15)8(14)7(5-13)17-11/h7-10,13-16H,2-5H2,1H3/b11-6+/t7-,8-,9+,10-/m1/s1.
What are the key properties of (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 250.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 135045784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).