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1,6-Digalloylglucose

CAT: 0931-T125261-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125261-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23363-08-8
Target
Others, HIV Protease, Reverse Transcriptase
Related Pathways
Proteases/Proteasome, Others, Microbiology/Virology
Bioactivity
1,6-Digalloylglucose is a useful organic compound for research related to life sciences. The catalog number is T125261 and the CAS number is 23363-08-8.
Smiles
O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O
Molecular Formula
C20H20O14
Molecular Weight
484.366
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,6-bis-O-galloyl-beta-D-glucose

1,6-bis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having two galloyl groups in the 1- and 6-positions. It has a role as a metabolite. It is a galloyl beta-D-glucose and a gallate ester.

CAS Number23363-08-8
PubChem CID440221
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular FormulaC20H20O14
Molecular Weight484.4
XLogP-0.8
Topological Polar Surface Area244
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity695
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI
InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1
InChIKey
LYGRISUQIZNHGM-IVABAYMNSA-N
Chemical Structure
2D Structure
2D structure of 1,6-bis-O-galloyl-beta-D-glucose
CAS: 23363-08-8
CID: 440221
Formula: C20H20O14
MW: 484.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.4
XLogP3-0.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass484.08530531
Monoisotopic Mass484.08530531
Topological Polar Surface Area244 Ų
Heavy Atom Count34
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS57907441,6-Digalloylglucose
PC450223-011,1,1,6,6,6-Hexafluorohexane
S8010-03Sucrose-1,1,6,6,6’,6’-d6
sc-220153Sucrose-1,1,6,6,6',6'-d6
sc-2872691,6-Diaminohexane-1,1,6,6-d4
TRC-S697002-50MGSucrose-1,1,6,6,6’,6’-d6 (Major)
TRC-H290099-1MG1,6-Hexane-1,1,6,6-d4-diol
D4161811,6-Hexane-1,1,6,6-d4-diamine
XLD08157-016,6-Dimethyl-1λ6,2-thiazinane-1,1-dione
sc-2872711,6,20,25-Tetraaza[6.1.6.1]paracyclophane

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