(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol

C6H12O5 — CID 11321155

IUPAC(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILES[2H][C@]1(O)[C@H](OC)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1/i5D
InChIKeyNALRCAPFICWVAQ-KPHNYKJQSA-N
MW165.16 g/mol
LogP-1.93
Rot. Bonds2

About (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol

(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol (PubChem CID 11321155) has the molecular formula C6H12O5 and a molecular weight of 165.16 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
PubChem CID11321155
Molecular FormulaC6H12O5
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILES[2H][C@]1(O)[C@H](OC)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1/i5D
InChIKeyNALRCAPFICWVAQ-KPHNYKJQSA-N
XLogP-1.93
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 102127943
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(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,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(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
(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
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol (CID 11321155) is (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol is [2H][C@]1(O)[C@H](OC)O[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The InChIKey is NALRCAPFICWVAQ-KPHNYKJQSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1/i5D.
What are the key properties of (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
(2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol has a molecular weight of 165.16 g/mol, XLogP of -1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3-deuterio-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol is sourced from PubChem (CID 11321155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).