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

C7H14O4 — CID 142842456

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
SMILESC[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-4-3-11-5(2-8)7(10)6(4)9/h4-10H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyLAZKNZRLMQUZDL-WNJXEPBRSA-N
MW162.18 g/mol
LogP-1.26
Rot. Bonds1

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol (PubChem CID 142842456) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
PubChem CID142842456
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
SMILESC[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4/c1-4-3-11-5(2-8)7(10)6(4)9/h4-10H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyLAZKNZRLMQUZDL-WNJXEPBRSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
CID 58400213
(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 167408601
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-nitrosooxane-3,4-diol
CID 129103368
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol (CID 142842456) is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol is C[C@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
The InChIKey is LAZKNZRLMQUZDL-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-3-11-5(2-8)7(10)6(4)9/h4-10H,2-3H2,1H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol has a molecular weight of 162.18 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol is sourced from PubChem (CID 142842456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).