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

C8H16O5 — CID 89336790

IUPAC(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILESCC[C@@]1(OC)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-3-8(12-2)7(11)6(10)5(4-9)13-8/h5-7,9-11H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyMQPPMWMRHHKCJP-WCTZXXKLSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds3

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

(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol (PubChem CID 89336790) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
PubChem CID89336790
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILESCC[C@@]1(OC)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-3-8(12-2)7(11)6(10)5(4-9)13-8/h5-7,9-11H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyMQPPMWMRHHKCJP-WCTZXXKLSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R)-2-(chloromethyl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 130847553
(2R,3R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 123188389
(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 54008536
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-methoxy-5-(methoxymethyl)oxolane-3,4-diol
CID 156531335
sodium [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]methanesulfonate
CID 102598037
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-propan-2-yloxyoxolane-3,4-diol
CID 124638273
(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 154790998
(2R,4S,5S)-2-[(2S,3R,5R)-2-[[(2R,3R,5R)-2-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170533430
(2R,5R)-2-amino-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 129088013
2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 70920412
(3R,4S,5R,6R)-6-(hydroxymethyl)-2-octoxy-2-octyloxane-3,4,5-triol
CID 22879298
(2R,3S,4S,5R)-2-(2-hydroxyethylsulfanyloxy)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 70209053

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol (CID 89336790) is (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol is CC[C@@]1(OC)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The InChIKey is MQPPMWMRHHKCJP-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16O5/c1-3-8(12-2)7(11)6(10)5(4-9)13-8/h5-7,9-11H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol is sourced from PubChem (CID 89336790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).