(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide

C10H21BrO6 — CID 175363710

IUPAC(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
SMILESBr.COC[C@H]1OC(O)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O6.BrH/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6;/h6-11H,5H2,1-4H3;1H/t6-,7-,8+,9-,10?;/m1./s1
InChIKeyBDMWCASNPOURPG-JBQRCISRSA-N
MW317.18 g/mol
LogP-0.03
Rot. Bonds5

About (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide

(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide (PubChem CID 175363710) has the molecular formula C10H21BrO6 and a molecular weight of 317.18 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
PubChem CID175363710
Molecular FormulaC10H21BrO6
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Name(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
SMILESBr.COC[C@H]1OC(O)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H20O6.BrH/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6;/h6-11H,5H2,1-4H3;1H/t6-,7-,8+,9-,10?;/m1./s1
InChIKeyBDMWCASNPOURPG-JBQRCISRSA-N
XLogP-0.03
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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,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,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 14337642
3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol
CID 6421426
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(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,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2S,3R,4S,5S,6R)-3-(4-aminophenoxy)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 171122762
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
5-[3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 54502419

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide?
The IUPAC name of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide (CID 175363710) is (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide.
What is the SMILES notation for (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide?
The canonical SMILES for (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide is Br.COC[C@H]1OC(O)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide?
The InChIKey is BDMWCASNPOURPG-JBQRCISRSA-N. The full InChI is InChI=1S/C10H20O6.BrH/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6;/h6-11H,5H2,1-4H3;1H/t6-,7-,8+,9-,10?;/m1./s1.
What are the key properties of (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide?
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide has a molecular weight of 317.18 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide is sourced from PubChem (CID 175363710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).