(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol

C7H14O6 — CID 131086029

IUPAC(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
SMILESCOC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-12-2-4-5(9)6(10)7(11,3-8)13-4/h4-6,8-11H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKeyFOSAYDAPRXKRTN-GBNDHIKLSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds3

About (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol

(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol (PubChem CID 131086029) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
PubChem CID131086029
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
SMILESCOC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-12-2-4-5(9)6(10)7(11,3-8)13-4/h4-6,8-11H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKeyFOSAYDAPRXKRTN-GBNDHIKLSA-N
XLogP-2.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,5R)-2-(hydroxymethyl)-5-[(propan-2-ylideneamino)oxymethyl]oxolane-2,3,4-triol
CID 150541808
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 67127490
(2R,3S,4S,5R)-2-(hydroxymethyl)-2-methoxy-5-(methoxymethyl)oxolane-3,4-diol
CID 156531335
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
[(2R,3R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 24802142
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
barium(2+);[(2S,3R,4R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
CID 133126663
(3S,4S,5S)-5-[(2-hydroxyethylamino)methyl]-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 170042168
(3S,4S,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 14183822

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol (CID 131086029) is (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol is COC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol?
The InChIKey is FOSAYDAPRXKRTN-GBNDHIKLSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-2-4-5(9)6(10)7(11,3-8)13-4/h4-6,8-11H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol?
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol has a molecular weight of 194.18 g/mol, XLogP of -2.57, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 131086029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).