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

C19H38O10 — CID 162980397

IUPAC(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-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]1OC
InChIInChI=1S/C19H38O10/c1-20-9-12(23-4)15(24-5)13(10-21-2)28-19-18(27-8)17(26-7)16(25-6)14(29-19)11-22-3/h12-19H,9-11H2,1-8H3/t12-,13-,14+,15-,16-,17-,18+,19+/m0/s1
InChIKeyZUNVPNBFBAFOBX-FBLCMHPESA-N
MW426.50 g/mol
LogP0.11
Rot. Bonds15

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

(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane (PubChem CID 162980397) has the molecular formula C19H38O10 and a molecular weight of 426.50 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane
PubChem CID162980397
Molecular FormulaC19H38O10
Molecular Weight426.50 g/mol
Exact Mass426.25
IUPAC Name(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-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]1OC
InChIInChI=1S/C19H38O10/c1-20-9-12(23-4)15(24-5)13(10-21-2)28-19-18(27-8)17(26-7)16(25-6)14(29-19)11-22-3/h12-19H,9-11H2,1-8H3/t12-,13-,14+,15-,16-,17-,18+,19+/m0/s1
InChIKeyZUNVPNBFBAFOBX-FBLCMHPESA-N
XLogP0.11
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

Sucrose Octaacetate
CID 31340
Aquacoat
CID 24832091
D-(+)-Sucrose octaacetate
CID 219904
beta-D-Glucose pentaacetate
CID 2724702
Methylcellulose (4000 cps)
CID 51063134
alpha-D-glucose pentaacetate
CID 2723636
alpha-D-Glucopyranoside, methyl, tetraacetate
CID 95144
beta-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-, tetraacetate
CID 140906
beta-D-Galactose pentaacetate
CID 94752
Alpha-D-cellobiose octaacetate
CID 111065
beta-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)-, 1,2,3,6-tetraacetate
CID 6710817
Poly(oxy-1,2-ethanediyl), alpha-hydro-omega-hydroxy-, ether with methyl beta-D-glucopyranoside (4:1)
CID 62247

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane?
The IUPAC name of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane (CID 162980397) is (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-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]1OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane?
The InChIKey is ZUNVPNBFBAFOBX-FBLCMHPESA-N. The full InChI is InChI=1S/C19H38O10/c1-20-9-12(23-4)15(24-5)13(10-21-2)28-19-18(27-8)17(26-7)16(25-6)14(29-19)11-22-3/h12-19H,9-11H2,1-8H3/t12-,13-,14+,15-,16-,17-,18+,19+/m0/s1.
What are the key properties of (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane?
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane has a molecular weight of 426.50 g/mol, XLogP of 0.11, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2S,3S,4S)-1,3,4,5-tetramethoxypentan-2-yl]oxyoxane is sourced from PubChem (CID 162980397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).