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

C6H12O4 — CID 59795634

IUPAC(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-3-5(8)6(9)4(2-7)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyKPDBJZUAABGPIN-MOJAZDJTSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds1

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

(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol (PubChem CID 59795634) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
PubChem CID59795634
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-3-5(8)6(9)4(2-7)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyKPDBJZUAABGPIN-MOJAZDJTSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol (CID 59795634) is (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
The InChIKey is KPDBJZUAABGPIN-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-5(8)6(9)4(2-7)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol?
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 59795634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).