(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane

C18H34O7 — CID 59871063

IUPAC(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane
SMILESCOCC1OC(C)C(OC)C(OC)[C@@H]1O[C@H]1CC[C@@H](C)C(COC)O1
InChIInChI=1S/C18H34O7/c1-11-7-8-15(24-13(11)9-19-3)25-17-14(10-20-4)23-12(2)16(21-5)18(17)22-6/h11-18H,7-10H2,1-6H3/t11-,12?,13?,14?,15+,16?,17-,18?/m1/s1
InChIKeyKELKGGGNUFLSKX-OEYAGBCLSA-N
MW362.46 g/mol
LogP1.62
Rot. Bonds8

About (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane

(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane (PubChem CID 59871063) has the molecular formula C18H34O7 and a molecular weight of 362.46 g/mol. Its IUPAC name is (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane.

Molecular Properties

Compound Name(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane
PubChem CID59871063
Molecular FormulaC18H34O7
Molecular Weight362.46 g/mol
Exact Mass362.23
IUPAC Name(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane
SMILESCOCC1OC(C)C(OC)C(OC)[C@@H]1O[C@H]1CC[C@@H](C)C(COC)O1
InChIInChI=1S/C18H34O7/c1-11-7-8-15(24-13(11)9-19-3)25-17-14(10-20-4)23-12(2)16(21-5)18(17)22-6/h11-18H,7-10H2,1-6H3/t11-,12?,13?,14?,15+,16?,17-,18?/m1/s1
InChIKeyKELKGGGNUFLSKX-OEYAGBCLSA-N
XLogP1.62
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 139492004
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(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
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(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
(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 88937299

Frequently Asked Questions

What is the IUPAC name of (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane?
The IUPAC name of (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane (CID 59871063) is (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane.
What is the SMILES notation for (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane?
The canonical SMILES for (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane is COCC1OC(C)C(OC)C(OC)[C@@H]1O[C@H]1CC[C@@H](C)C(COC)O1.
What is the InChIKey of (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane?
The InChIKey is KELKGGGNUFLSKX-OEYAGBCLSA-N. The full InChI is InChI=1S/C18H34O7/c1-11-7-8-15(24-13(11)9-19-3)25-17-14(10-20-4)23-12(2)16(21-5)18(17)22-6/h11-18H,7-10H2,1-6H3/t11-,12?,13?,14?,15+,16?,17-,18?/m1/s1.
What are the key properties of (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane?
(3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane has a molecular weight of 362.46 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,5-dimethoxy-2-(methoxymethyl)-3-[(2S,5R)-6-(methoxymethyl)-5-methyloxan-2-yl]oxy-6-methyloxane is sourced from PubChem (CID 59871063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).