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

C8H16O5 — CID 141035532

IUPAC(3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILES[2H]CCCC1(O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-2-3-8(12)7(11)6(10)5(4-9)13-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7-,8?/m1/s1/i1D
InChIKeyJDYXNOIVOSKWPB-YGSSGTFJSA-N
MW193.22 g/mol
LogP-1.41
Rot. Bonds4

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

(3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 141035532) has the molecular formula C8H16O5 and a molecular weight of 193.22 g/mol. Its IUPAC name is (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID141035532
Molecular FormulaC8H16O5
Molecular Weight193.22 g/mol
Exact Mass193.11
IUPAC Name(3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILES[2H]CCCC1(O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O5/c1-2-3-8(12)7(11)6(10)5(4-9)13-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7-,8?/m1/s1/i1D
InChIKeyJDYXNOIVOSKWPB-YGSSGTFJSA-N
XLogP-1.41
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)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

(2S,3R,4S,5S,6R)-2-butyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 152616665
(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
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-nonyloxane-2,3,4,5-tetrol
CID 141242190
(3R,4S,5S,6R)-2-(2-chloro-2-deuterioethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141175486
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
sodium;hydride;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(2-phosphanylethyl)oxane-2,3,4,5-tetrol
CID 175032587
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
2-heptyl-6-(hydroxymethyl)-5-sulfanyloxane-2,3,4-triol
CID 91406796
2-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetaldehyde
CID 146188927
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 141035532) is (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol is [2H]CCCC1(O)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is JDYXNOIVOSKWPB-YGSSGTFJSA-N. The full InChI is InChI=1S/C8H16O5/c1-2-3-8(12)7(11)6(10)5(4-9)13-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7-,8?/m1/s1/i1D.
What are the key properties of (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol?
(3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 193.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 141035532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).