 Home > Encyclopedia > (1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol

(1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol

(1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol structure

CAS No:
98896-89-0
Formula:
C15H22O5
Chemical Name:
(1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol
Synonyms:
98896-89-0;DTXSID90913014;Trichotheca-9,12-diene-3,4,8,15-tetrol, (3alpha,4beta,8alpha)-;Trichotheca-9,12-diene-3,4,8,15-tetrol

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(1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol Basic Attributes

Molecular Weight：

282.33 g/mol

Exact Mass：

282.14672380 g/mol

Characteristics

PSA：

90.2 Å²

Computed Properties

Molecular Weight:282.33
XLogP3:-1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:282.14672380
Monoisotopic Mass:282.14672380
Topological Polar Surface Area:90.2
Heavy Atom Count:20
Complexity:487
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,2R,4S,7R,9S,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-ene-4,10,11-triol

Basic Attributes
Characteristics
Computed Properties

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