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

C6H12O5 — CID 131019383

IUPAC(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILESCOC1(CO)OC[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c1-10-6(3-7)5(9)4(8)2-11-6/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKeyNYOMYVSBWQTWNT-YRZWDFBDSA-N
MW164.16 g/mol
LogP-1.93
Rot. Bonds2

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

(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol (PubChem CID 131019383) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
PubChem CID131019383
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILESCOC1(CO)OC[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c1-10-6(3-7)5(9)4(8)2-11-6/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKeyNYOMYVSBWQTWNT-YRZWDFBDSA-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 ≤ 500164.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 101231917
(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
CID 167690761
(2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6325163
(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol
CID 102044238
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 158000416
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol
CID 15756112
(2S,3S,4S,5S)-2-(2-chloroethoxy)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 98091406
(2S,3R,4S,5S)-2-(hydroxymethyl)-2-prop-2-enoxyoxane-3,4,5-triol
CID 102044235
(2R,3S,4R,5S)-2-dodecoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 101009512
(2S,3R,4S,5S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 102354559
(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol
CID 132521015
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-methoxy-5-(methoxymethyl)oxolane-3,4-diol
CID 156531335

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The IUPAC name of (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol (CID 131019383) is (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol.
What is the SMILES notation for (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The canonical SMILES for (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol is COC1(CO)OC[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
The InChIKey is NYOMYVSBWQTWNT-YRZWDFBDSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-6(3-7)5(9)4(8)2-11-6/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?/m0/s1.
What are the key properties of (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol?
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol has a molecular weight of 164.16 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 (3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol is sourced from PubChem (CID 131019383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).