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

C15H27FO5 — CID 135033373

IUPAC(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCC/C(F)=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H27FO5/c1-2-3-4-5-6-7-8-10(16)15-14(20)13(19)12(18)11(9-17)21-15/h11-14,17-20H,2-9H2,1H3/b15-10-/t11-,12-,13+,14-/m1/s1
InChIKeyAMTDUIJIXBQWPD-UZJIHRPPSA-N
MW306.37 g/mol
LogP1.39
Rot. Bonds8

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

(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 135033373) has the molecular formula C15H27FO5 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID135033373
Molecular FormulaC15H27FO5
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCCCCCC/C(F)=C1/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H27FO5/c1-2-3-4-5-6-7-8-10(16)15-14(20)13(19)12(18)11(9-17)21-15/h11-14,17-20H,2-9H2,1H3/b15-10-/t11-,12-,13+,14-/m1/s1
InChIKeyAMTDUIJIXBQWPD-UZJIHRPPSA-N
XLogP1.39
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pentadecan-2-one
CID 159949969
[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] hexadecanoate
CID 141327554
1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tridecan-2-one
CID 45378468
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octyloxane-3,4,5-triol
CID 91217926
(3R,4R)-2-(hydroxymethyl)-6-tridecyloxane-3,4,5-triol
CID 158921249
2-heptadecyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73150554
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-undecoxyoxane-2,3,4,5-tetrol
CID 139609778
1-[(2R,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]dodecan-2-one
CID 70126820
1-[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]hexadecan-2-one
CID 70125654
1-[(2R,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]tridecan-2-one
CID 70128067
1-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-2-one
CID 70126177
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-undecan-2-yloxolane-3,4-diol
CID 89443137

Frequently Asked Questions

What is the IUPAC name of (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 135033373) is (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCCCCC/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-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is AMTDUIJIXBQWPD-UZJIHRPPSA-N. The full InChI is InChI=1S/C15H27FO5/c1-2-3-4-5-6-7-8-10(16)15-14(20)13(19)12(18)11(9-17)21-15/h11-14,17-20H,2-9H2,1H3/b15-10-/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2Z,3R,4S,5S,6R)-2-(1-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 306.37 g/mol, XLogP of 1.39, 8 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-fluorononylidene)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 135033373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).