(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol

C18H34O11 — CID 101341910

IUPAC(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
SMILESCOC[C@H]1O[C@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O)O[C@@H]2COC)[C@H](OC)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C18H34O11/c1-21-7-9-11(19)13(23-3)16(26-6)18(28-9)29-12-10(8-22-2)27-17(20)15(25-5)14(12)24-4/h9-20H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKeyHEBAEJXQLRTADV-GSPJEIBNSA-N
MW426.46 g/mol
LogP-1.47
Rot. Bonds10

About (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol

(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol (PubChem CID 101341910) has the molecular formula C18H34O11 and a molecular weight of 426.46 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
PubChem CID101341910
Molecular FormulaC18H34O11
Molecular Weight426.46 g/mol
Exact Mass426.21
IUPAC Name(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
SMILESCOC[C@H]1O[C@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O)O[C@@H]2COC)[C@H](OC)[C@@H](OC)[C@@H]1O
InChIInChI=1S/C18H34O11/c1-21-7-9-11(19)13(23-3)16(26-6)18(28-9)29-12-10(8-22-2)27-17(20)15(25-5)14(12)24-4/h9-20H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1
InChIKeyHEBAEJXQLRTADV-GSPJEIBNSA-N
XLogP-1.47
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 156615341
(2R,3S,4S,5R,6R)-6-[(2R,3S,4S,5R,6S)-4,6-dihydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-2-(methoxymethyl)oxane-3,4-diol
CID 101341902
(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 88937299
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
5-[3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 54502419
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol (CID 101341910) is (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol is COC[C@H]1O[C@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O)O[C@@H]2COC)[C@H](OC)[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
The InChIKey is HEBAEJXQLRTADV-GSPJEIBNSA-N. The full InChI is InChI=1S/C18H34O11/c1-21-7-9-11(19)13(23-3)16(26-6)18(28-9)29-12-10(8-22-2)27-17(20)15(25-5)14(12)24-4/h9-20H,7-8H2,1-6H3/t9-,10-,11-,12-,13+,14+,15-,16-,17+,18-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol?
(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol has a molecular weight of 426.46 g/mol, XLogP of -1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol is sourced from PubChem (CID 101341910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).