(3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

C14H26O11 — CID 140972106

IUPAC(3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
SMILES[2H]CCC1(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H26O11/c1-2-14(22)12(21)10(20)11(6(4-16)25-14)24-13-9(19)8(18)7(17)5(3-15)23-13/h5-13,15-22H,2-4H2,1H3/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14?/m1/s1/i1D
InChIKeyDJSROVJIGIJAMV-RTXSDETESA-N
MW371.36 g/mol
LogP-4.62
Rot. Bonds6

About (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

(3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 140972106) has the molecular formula C14H26O11 and a molecular weight of 371.36 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
PubChem CID140972106
Molecular FormulaC14H26O11
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name(3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
SMILES[2H]CCC1(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H26O11/c1-2-14(22)12(21)10(20)11(6(4-16)25-14)24-13-9(19)8(18)7(17)5(3-15)23-13/h5-13,15-22H,2-4H2,1H3/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14?/m1/s1/i1D
InChIKeyDJSROVJIGIJAMV-RTXSDETESA-N
XLogP-4.62
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500371.36
LogP ≤ 5-4.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-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,3S,4R,5S,6S)-2-[(2S,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 99721432
(2R,3S,4R,5R,6S)-2-[(2S,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124905361
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102486295
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122173797
(2R,3R,4R,5S,6R)-2-[(4-chlorophenyl)methyl]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
CID 141306480
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70152733
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-amino-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139995370
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10462067
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91853111
6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 54385408
(1S,2R,4R,5S)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 162937469
(3S,5S)-2-ethyl-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 59567395

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
The IUPAC name of (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol (CID 140972106) is (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol.
What is the SMILES notation for (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
The canonical SMILES for (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol is [2H]CCC1(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
The InChIKey is DJSROVJIGIJAMV-RTXSDETESA-N. The full InChI is InChI=1S/C14H26O11/c1-2-14(22)12(21)10(20)11(6(4-16)25-14)24-13-9(19)8(18)7(17)5(3-15)23-13/h5-13,15-22H,2-4H2,1H3/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14?/m1/s1/i1D.
What are the key properties of (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol?
(3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 371.36 g/mol, XLogP of -4.62, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2-(2-deuterioethyl)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 140972106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).