(2S,3S,4S,5R,6S)-6-[5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
-
![(2S,3S,4S,5R,6S)-6-[5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ae2ea0eb90164676ab418cf867b3af0a.png "(2S,3S,4S,5R,6S)-6-[5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
structure -
-
CAS No:
1422248-72-3
-
Formula:
C25H26O12
-
Chemical Name:
(2S,3S,4S,5R,6S)-6-[5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
-
Synonyms:
UNII-HGA9J39FXN;HGA9J39FXN;Sesamin monocatechol 3-glucoronide;1422248-72-3;beta-D-Glucopyranosiduronic acid, 5-((1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-hydroxyphenyl
-
CAS No:
(2S,3S,4S,5R,6S)-6-[5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
518.5 g/mol
518.14242626 g/mol
HGA9J39FXN
Computed Properties
Molecular Weight:518.5
XLogP3:0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:518.14242626
Monoisotopic Mass:518.14242626
Topological Polar Surface Area:174
Heavy Atom Count:37
Complexity:828
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8
Request for Quotation