(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol

C11H22O6 — CID 101088444

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol
SMILESCCC(O)(CC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O6/c1-3-11(16,4-2)10-9(15)8(14)7(13)6(5-12)17-10/h6-10,12-16H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1
InChIKeyZIULOAIKFNLRKZ-FHNUBNKASA-N
MW250.29 g/mol
LogP-1.62
Rot. Bonds4

About (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol (PubChem CID 101088444) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol
PubChem CID101088444
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol
SMILESCCC(O)(CC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O6/c1-3-11(16,4-2)10-9(15)8(14)7(13)6(5-12)17-10/h6-10,12-16H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1
InChIKeyZIULOAIKFNLRKZ-FHNUBNKASA-N
XLogP-1.62
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol with MolForge

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Related Compounds

(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol (CID 101088444) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol is CCC(O)(CC)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol?
The InChIKey is ZIULOAIKFNLRKZ-FHNUBNKASA-N. The full InChI is InChI=1S/C11H22O6/c1-3-11(16,4-2)10-9(15)8(14)7(13)6(5-12)17-10/h6-10,12-16H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol has a molecular weight of 250.29 g/mol, XLogP of -1.62, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol is sourced from PubChem (CID 101088444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).