(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane

C27H52O14 — CID 162900727

IUPAC(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane
SMILESCOC[C@H](OC)[C@H](OC)[C@H](COC)O[C@@H]1O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]1O[C@H]1O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C27H52O14/c1-15-19(32-6)22(35-9)24(37-11)26(38-15)41-25-23(36-10)21(34-8)18(14-30-4)40-27(25)39-17(13-29-3)20(33-7)16(31-5)12-28-2/h15-27H,12-14H2,1-11H3/t15-,16-,17-,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+/m0/s1
InChIKeyLQLWTXHROXBIJK-IKOVGOCTSA-N
MW600.70 g/mol
LogP0.27
Rot. Bonds19

About (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane

(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane (PubChem CID 162900727) has the molecular formula C27H52O14 and a molecular weight of 600.70 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane
PubChem CID162900727
Molecular FormulaC27H52O14
Molecular Weight600.70 g/mol
Exact Mass600.34
IUPAC Name(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane
SMILESCOC[C@H](OC)[C@H](OC)[C@H](COC)O[C@@H]1O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]1O[C@H]1O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C27H52O14/c1-15-19(32-6)22(35-9)24(37-11)26(38-15)41-25-23(36-10)21(34-8)18(14-30-4)40-27(25)39-17(13-29-3)20(33-7)16(31-5)12-28-2/h15-27H,12-14H2,1-11H3/t15-,16-,17-,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+/m0/s1
InChIKeyLQLWTXHROXBIJK-IKOVGOCTSA-N
XLogP0.27
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane with MolForge

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Related Compounds

Hydroxyethyl Starch
CID 16213095
dodecyl beta-D-maltoside
CID 114880
Hydroxyethyl cellulose
CID 4327536
beta-D-Glucose pentaacetate
CID 2724702
Methylcellulose (4000 cps)
CID 51063134
alpha-D-glucose pentaacetate
CID 2723636
Polyglucosan
CID 71312131
3-Fucosyllactose
CID 16216990
Dodecyl-Alpha-D-Maltoside
CID 445456
beta-D-Galactose pentaacetate
CID 94752
Cellulose, propanoate
CID 11506004
alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-Glcp
CID 5288272

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane?
The IUPAC name of (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane (CID 162900727) is (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane is COC[C@H](OC)[C@H](OC)[C@H](COC)O[C@@H]1O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]1O[C@H]1O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane?
The InChIKey is LQLWTXHROXBIJK-IKOVGOCTSA-N. The full InChI is InChI=1S/C27H52O14/c1-15-19(32-6)22(35-9)24(37-11)26(38-15)41-25-23(36-10)21(34-8)18(14-30-4)40-27(25)39-17(13-29-3)20(33-7)16(31-5)12-28-2/h15-27H,12-14H2,1-11H3/t15-,16-,17-,18+,19+,20-,21-,22+,23-,24-,25+,26+,27+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane?
(2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane has a molecular weight of 600.70 g/mol, XLogP of 0.27, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane is sourced from PubChem (CID 162900727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).