(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

C7H14O6 — CID 89221036

IUPAC(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3?,4?,5?,6?,7-/m0/s1
InChIKeyHOVAGTYPODGVJG-VICYTKJSSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds2

About (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 89221036) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID89221036
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3?,4?,5?,6?,7-/m0/s1
InChIKeyHOVAGTYPODGVJG-VICYTKJSSA-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

(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3R,4S,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 100932011
(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
CID 177463327

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (CID 89221036) is (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is CO[C@H]1OC(CO)C(O)C(O)C1O.
What is the InChIKey of (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is HOVAGTYPODGVJG-VICYTKJSSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3?,4?,5?,6?,7-/m0/s1.
What are the key properties of (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
(6S)-2-(hydroxymethyl)-6-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 (6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 89221036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).