 Home > Encyclopedia > (2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol structure

CAS No:
158799-49-6
Formula:
C21H36O11
Chemical Name:
(2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Synonyms:
cis-linalool 3,6-oxide beta-primeveroside;linalool 3,6-oxide 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside;linalool 3,6-oxide 6-O-xylopyranosylglucopyranoside;linalool 3,6-oxide 6-O-xylopyranosylglucopyranoside, (2R-trans)-isomer;linalool 3,6-oxide beta-primeveroside;LO-Xyl-Glc;trans-linalool 3,6-oxide beta-primeveroside;158799-49-6;LO-Xyl-glc;Linalool 3,6-oxide 6-O-xylopyranosylglucopyranoside;DTXSID30936000;cis-Linalool 3,6-oxidebeta-primeveroside;(2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol;Linalool 3,6-oxide 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside;2-(5-Ethenyl-5-methyloxolan-2-yl)propan-2-yl 6-O-pentopyranosylhexopyranoside

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(2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol Basic Attributes

Molecular Weight：

464.5 g/mol

Exact Mass：

464.22576196 g/mol

Characteristics

PSA：

168 Å²

Drug Information

MeSH Entry Terms：

cis-linalool 3,6-oxide beta-primeveroside

Computed Properties

Molecular Weight:464.5
XLogP3:-2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:464.22576196
Monoisotopic Mass:464.22576196
Topological Polar Surface Area:168
Heavy Atom Count:32
Complexity:645
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,3S,4S,5S,6R)-2-[2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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