(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol

C28H50O18 — CID 177463327

IUPAC(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CC[C@@H]2O[C@H](CC[C@@H]3O[C@H](CC[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)C(O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C28H50O18/c1-42-28-27(41)26(40)21(35)14(46-28)7-6-12-19(33)24(38)17(31)10(44-12)3-2-9-16(30)23(37)18(32)11(43-9)4-5-13-20(34)25(39)22(36)15(8-29)45-13/h9-41H,2-8H2,1H3/t9-,10+,11+,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25+,26-,27+,28+/m0/s1
InChIKeyOFYGWFKZTVDQKM-YSUYTJKPSA-N
MW674.69 g/mol
LogP-6.68
Rot. Bonds11

About (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol

(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol (PubChem CID 177463327) has the molecular formula C28H50O18 and a molecular weight of 674.69 g/mol. Its IUPAC name is (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
PubChem CID177463327
Molecular FormulaC28H50O18
Molecular Weight674.69 g/mol
Exact Mass674.30
IUPAC Name(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CC[C@@H]2O[C@H](CC[C@@H]3O[C@H](CC[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)C(O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C28H50O18/c1-42-28-27(41)26(40)21(35)14(46-28)7-6-12-19(33)24(38)17(31)10(44-12)3-2-9-16(30)23(37)18(32)11(43-9)4-5-13-20(34)25(39)22(36)15(8-29)45-13/h9-41H,2-8H2,1H3/t9-,10+,11+,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25+,26-,27+,28+/m0/s1
InChIKeyOFYGWFKZTVDQKM-YSUYTJKPSA-N
XLogP-6.68
TPSA309.14 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500674.69
LogP ≤ 5-6.68
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 100932011
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol (CID 177463327) is (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol is CO[C@@H]1O[C@H](CC[C@@H]2O[C@H](CC[C@@H]3O[C@H](CC[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)C(O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol?
The InChIKey is OFYGWFKZTVDQKM-YSUYTJKPSA-N. The full InChI is InChI=1S/C28H50O18/c1-42-28-27(41)26(40)21(35)14(46-28)7-6-12-19(33)24(38)17(31)10(44-12)3-2-9-16(30)23(37)18(32)11(43-9)4-5-13-20(34)25(39)22(36)15(8-29)45-13/h9-41H,2-8H2,1H3/t9-,10+,11+,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25+,26-,27+,28+/m0/s1.
What are the key properties of (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol?
(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol has a molecular weight of 674.69 g/mol, XLogP of -6.68, 11 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol is sourced from PubChem (CID 177463327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).