(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

C16H30O11 — CID 101341902

IUPAC(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
SMILESCOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OC)[C@@H](O)O[C@@H]2COC)[C@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H30O11/c1-21-5-7-9(17)10(18)14(24-4)16(26-7)27-12-8(6-22-2)25-15(20)13(23-3)11(12)19/h7-20H,5-6H2,1-4H3/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16-/m1/s1
InChIKeyRVQCIYCJNJFUSQ-FACJOEEPSA-N
MW398.41 g/mol
LogP-2.78
Rot. Bonds8

About (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

(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 (PubChem CID 101341902) has the molecular formula C16H30O11 and a molecular weight of 398.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101341902
Molecular FormulaC16H30O11
Molecular Weight398.41 g/mol
Exact Mass398.18
IUPAC Name(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
SMILESCOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OC)[C@@H](O)O[C@@H]2COC)[C@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H30O11/c1-21-5-7-9(17)10(18)14(24-4)16(26-7)27-12-8(6-22-2)25-15(20)13(23-3)11(12)19/h7-20H,5-6H2,1-4H3/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16-/m1/s1
InChIKeyRVQCIYCJNJFUSQ-FACJOEEPSA-N
XLogP-2.78
TPSA145.53 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 5-2.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(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
(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
(3R,4R,6S)-2-(hydroxymethyl)-6-[(3S,4S,6S)-4,5,6-trihydroxy-2-(methoxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 140557407
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
(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
(4R,5S)-5-[(2R,4R,5S)-5-[(2R,4S,5S)-6-[[(2S,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,4S,5S)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 157421087
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
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,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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OC)[C@@H](O)O[C@@H]2COC)[C@H](OC)[C@@H](O)[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is RVQCIYCJNJFUSQ-FACJOEEPSA-N. The full InChI is InChI=1S/C16H30O11/c1-21-5-7-9(17)10(18)14(24-4)16(26-7)27-12-8(6-22-2)25-15(20)13(23-3)11(12)19/h7-20H,5-6H2,1-4H3/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 398.41 g/mol, XLogP of -2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 101341902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).