(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol

C6H12O5 — CID 59922885

IUPAC(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OCC(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3?,4?,5-,6+/m1/s1
InChIKeyMPCAJMNYNOGXPB-KTGMNZKDSA-N
MW164.16 g/mol
LogP-2.54
Rot. Bonds1

About (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol

(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59922885) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID59922885
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OCC(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3?,4?,5-,6+/m1/s1
InChIKeyMPCAJMNYNOGXPB-KTGMNZKDSA-N
XLogP-2.54
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
CID 166946041
(3S,4R,5R,6R)-5-chloro-6-(hydroxymethyl)oxane-3,4-diol
CID 56626318
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol (CID 59922885) is (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol is OCC1OCC(O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MPCAJMNYNOGXPB-KTGMNZKDSA-N. The full InChI is InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3?,4?,5-,6+/m1/s1.
What are the key properties of (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol?
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 164.16 g/mol, XLogP of -2.54, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59922885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).