(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

C7H14O6 — CID 101231917

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@]1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-12-7(3-8)6(11)5(10)4(9)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKeyAPKXYJAUJLWHFF-BNHYGAARSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds2

About (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol (PubChem CID 101231917) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
PubChem CID101231917
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
SMILESCO[C@]1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-12-7(3-8)6(11)5(10)4(9)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKeyAPKXYJAUJLWHFF-BNHYGAARSA-N
XLogP-2.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6325163
(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol
CID 102044238
(2S,3S,4S,5S)-2-(2-chloroethoxy)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 98091406
(2S,3R,4S,5S)-2-(hydroxymethyl)-2-prop-2-enoxyoxane-3,4,5-triol
CID 102044235
(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
CID 167690761
(2R,3S,4R,5S)-2-dodecoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 101009512
(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 102354559
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 10154424
(3S,4R,5R)-2-(hydroxymethyl)-2-(1,1,2-tritritioprop-2-enoxy)oxane-3,4,5-triol
CID 54040626
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol (CID 101231917) is (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol is CO[C@]1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?
The InChIKey is APKXYJAUJLWHFF-BNHYGAARSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-7(3-8)6(11)5(10)4(9)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol has a molecular weight of 194.18 g/mol, XLogP of -2.57, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 101231917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).