[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol

C8H16O5 — CID 102375568

IUPAC[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
SMILESCO[C@H]1[C@H](OC)[C@@H](CO)O[C@@H]1CO
InChIInChI=1S/C8H16O5/c1-11-7-5(3-9)13-6(4-10)8(7)12-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyNSMGVOQBWCQJCJ-WCTZXXKLSA-N
MW192.21 g/mol
LogP-1.23
Rot. Bonds4

About [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol

[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol (PubChem CID 102375568) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
PubChem CID102375568
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
SMILESCO[C@H]1[C@H](OC)[C@@H](CO)O[C@@H]1CO
InChIInChI=1S/C8H16O5/c1-11-7-5(3-9)13-6(4-10)8(7)12-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyNSMGVOQBWCQJCJ-WCTZXXKLSA-N
XLogP-1.23
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177
(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 11608251
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol (CID 102375568) is [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol is CO[C@H]1[C@H](OC)[C@@H](CO)O[C@@H]1CO.
What is the InChIKey of [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol?
The InChIKey is NSMGVOQBWCQJCJ-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16O5/c1-11-7-5(3-9)13-6(4-10)8(7)12-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol?
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol has a molecular weight of 192.21 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol is sourced from PubChem (CID 102375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).