(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol

C8H16O5 — CID 130756914

IUPAC(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol
SMILESCO[C@@H]1O[C@@H](OC)[C@@H]([C@@H](C)O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-4(9)5-6(10)8(12-3)13-7(5)11-2/h4-10H,1-3H3/t4-,5+,6-,7-,8-/m1/s1
InChIKeyOTBDODDDNPFGBY-OZRXBMAMSA-N
MW192.21 g/mol
LogP-0.68
Rot. Bonds3

About (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol

(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol (PubChem CID 130756914) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol
PubChem CID130756914
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol
SMILESCO[C@@H]1O[C@@H](OC)[C@@H]([C@@H](C)O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-4(9)5-6(10)8(12-3)13-7(5)11-2/h4-10H,1-3H3/t4-,5+,6-,7-,8-/m1/s1
InChIKeyOTBDODDDNPFGBY-OZRXBMAMSA-N
XLogP-0.68
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
5-methoxyoxolane-2,3,4-triol
CID 122494930
2-(hydroxymethyl)-6-methoxy-5-propan-2-yloxane-3,4-diol
CID 134313664
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol
CID 71056568
2-(1-hydroxyethyl)-3,5-dimethoxy-4-methylcyclopentan-1-ol
CID 163417097
(1R,3S,4R,5R)-3-methoxy-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 102212263
(3R,4R,5R)-2-methoxy-5-(sulfanylmethyl)oxolane-3,4-diol
CID 130917803
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol (CID 130756914) is (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol is CO[C@@H]1O[C@@H](OC)[C@@H]([C@@H](C)O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol?
The InChIKey is OTBDODDDNPFGBY-OZRXBMAMSA-N. The full InChI is InChI=1S/C8H16O5/c1-4(9)5-6(10)8(12-3)13-7(5)11-2/h4-10H,1-3H3/t4-,5+,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol?
(2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol has a molecular weight of 192.21 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-[(1R)-1-hydroxyethyl]-2,5-dimethoxyoxolan-3-ol is sourced from PubChem (CID 130756914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).