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

C12H22O6 — CID 101088443

IUPAC(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](C2(O)CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O6/c13-6-7-8(14)9(15)10(16)11(18-7)12(17)4-2-1-3-5-12/h7-11,13-17H,1-6H2/t7-,8-,9+,10+,11-/m1/s1
InChIKeyHKEHUUDIEIQVRS-SAVGLBRCSA-N
MW262.30 g/mol
LogP-1.48
Rot. Bonds2

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

(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 101088443) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID101088443
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](C2(O)CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O6/c13-6-7-8(14)9(15)10(16)11(18-7)12(17)4-2-1-3-5-12/h7-11,13-17H,1-6H2/t7-,8-,9+,10+,11-/m1/s1
InChIKeyHKEHUUDIEIQVRS-SAVGLBRCSA-N
XLogP-1.48
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 175303610
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
(3S,4S,5R)-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 142655831
(2S,3R,4R,5R,6S)-6-(hydroxymethyl)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 173117466
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(3S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 69474351
(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 57076968
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3S,4S,5S,6S)-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 70500752

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 101088443) is (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](C2(O)CCCCC2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is HKEHUUDIEIQVRS-SAVGLBRCSA-N. The full InChI is InChI=1S/C12H22O6/c13-6-7-8(14)9(15)10(16)11(18-7)12(17)4-2-1-3-5-12/h7-11,13-17H,1-6H2/t7-,8-,9+,10+,11-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 262.30 g/mol, XLogP of -1.48, 2 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-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 101088443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).