(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol

C11H20O5 — CID 135045649

IUPAC(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol
SMILESCCCC/C=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O5/c1-2-3-4-5-7-9(13)11(15)10(14)8(6-12)16-7/h5,8-15H,2-4,6H2,1H3/b7-5-/t8-,9+,10-,11-/m1/s1
InChIKeyMODRBVJCTXMHQK-FWPKVIAASA-N
MW232.28 g/mol
LogP-0.47
Rot. Bonds4

About (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol

(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol (PubChem CID 135045649) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol
PubChem CID135045649
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol
SMILESCCCC/C=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O5/c1-2-3-4-5-7-9(13)11(15)10(14)8(6-12)16-7/h5,8-15H,2-4,6H2,1H3/b7-5-/t8-,9+,10-,11-/m1/s1
InChIKeyMODRBVJCTXMHQK-FWPKVIAASA-N
XLogP-0.47
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.47
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

(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
(2S,3R,4S,5S,6R)-2-[(Z)-1-hydroxyhex-3-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163195504
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
(2E,3R,4S,5S,6R)-2-(1-fluoropentylidene)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135045784
Diethylideneglucitol
CID 129712310
(2R,3S,4S,5R,6E)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
CID 78210125

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol (CID 135045649) is (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol is CCCC/C=C1\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol?
The InChIKey is MODRBVJCTXMHQK-FWPKVIAASA-N. The full InChI is InChI=1S/C11H20O5/c1-2-3-4-5-7-9(13)11(15)10(14)8(6-12)16-7/h5,8-15H,2-4,6H2,1H3/b7-5-/t8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol?
(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol has a molecular weight of 232.28 g/mol, XLogP of -0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol is sourced from PubChem (CID 135045649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).