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

C7H14O6 — CID 102127943

IUPAC(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILES[2H][C@]1(O)[C@H](O)[C@@H](O)[C@H](OC)O[C@@H]1CO
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-/m1/s1/i4D
InChIKeyHOVAGTYPODGVJG-VLSKUYEGSA-N
MW195.19 g/mol
LogP-2.57
Rot. Bonds2

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

(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 102127943) has the molecular formula C7H14O6 and a molecular weight of 195.19 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID102127943
Molecular FormulaC7H14O6
Molecular Weight195.19 g/mol
Exact Mass195.09
IUPAC Name(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
SMILES[2H][C@]1(O)[C@H](O)[C@@H](O)[C@H](OC)O[C@@H]1CO
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-/m1/s1/i4D
InChIKeyHOVAGTYPODGVJG-VLSKUYEGSA-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 ≤ 500195.19
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 11321155
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(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
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol (CID 102127943) is (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is [2H][C@]1(O)[C@H](O)[C@@H](O)[C@H](OC)O[C@@H]1CO.
What is the InChIKey of (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is HOVAGTYPODGVJG-VLSKUYEGSA-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-/m1/s1/i4D.
What are the key properties of (2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 195.19 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,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 102127943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).