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

C30H58O16 — CID 162957382

IUPAC(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
SMILESCOC[C@H](OC)[C@@H](O[C@H]1O[C@H](COC)[C@H](O[C@H]2O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC)[C@@H](OC)[C@@H](COC)OC
InChIInChI=1S/C30H58O16/c1-31-13-17(35-5)21(37-7)23(18(36-6)14-32-2)45-30-28(42-12)26(40-10)24(20(44-30)16-34-4)46-29-27(41-11)25(39-9)22(38-8)19(43-29)15-33-3/h17-30H,13-16H2,1-12H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,29-,30-/m1/s1
InChIKeyGTOZUOKCRDFSCM-ZFKPXYRJSA-N
MW674.78 g/mol
LogP-0.09
Rot. Bonds23

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

(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane (PubChem CID 162957382) has the molecular formula C30H58O16 and a molecular weight of 674.78 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
PubChem CID162957382
Molecular FormulaC30H58O16
Molecular Weight674.78 g/mol
Exact Mass674.37
IUPAC Name(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
SMILESCOC[C@H](OC)[C@@H](O[C@H]1O[C@H](COC)[C@H](O[C@H]2O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC)[C@@H](OC)[C@@H](COC)OC
InChIInChI=1S/C30H58O16/c1-31-13-17(35-5)21(37-7)23(18(36-6)14-32-2)45-30-28(42-12)26(40-10)24(20(44-30)16-34-4)46-29-27(41-11)25(39-9)22(38-8)19(43-29)15-33-3/h17-30H,13-16H2,1-12H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,29-,30-/m1/s1
InChIKeyGTOZUOKCRDFSCM-ZFKPXYRJSA-N
XLogP-0.09
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.78
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2R,3S,4R,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxan-3-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 162844364
(2R,3R,4S,5R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 162957381
(2R,3R,4S,5R,6S)-3,4-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4R,5R)-1,3,4,5,6-pentamethoxyhexan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 101281582
(2R,3R,4S,5R,6S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxane
CID 101281571
(2R,3S,4R,5R)-2-[(2S,3R,4S,5R,6R)-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetramethoxyhexanal
CID 101286055
2-[4,5-dimethoxy-6-(methoxymethyl)-3-[(3S,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetramethoxyhexanal
CID 91699139
3,4-dimethoxy-2-(methoxymethyl)-6-(1,3,4,5-tetramethoxypentan-2-yloxy)-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxyoxane
CID 162900726
6-[3,5-dimethoxy-6-(methoxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,4,5-tetramethoxyhexanal
CID 91699166
(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
(2S,3S,4S,5S)-2,3,4,5-tetramethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyhexan-1-ol
CID 163409526
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?
The IUPAC name of (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane (CID 162957382) is (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane is COC[C@H](OC)[C@@H](O[C@H]1O[C@H](COC)[C@H](O[C@H]2O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC)[C@@H](OC)[C@@H](COC)OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?
The InChIKey is GTOZUOKCRDFSCM-ZFKPXYRJSA-N. The full InChI is InChI=1S/C30H58O16/c1-31-13-17(35-5)21(37-7)23(18(36-6)14-32-2)45-30-28(42-12)26(40-10)24(20(44-30)16-34-4)46-29-27(41-11)25(39-9)22(38-8)19(43-29)15-33-3/h17-30H,13-16H2,1-12H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,29-,30-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane?
(2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane has a molecular weight of 674.78 g/mol, XLogP of -0.09, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 162957382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).