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T-1095

CAT: 0931-T9590-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9590-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
209746-59-8
Target
Transporter, SGLT
Related Pathways
Metabolism, GPCR/G Protein
Purity
0.9978
Bioactivity
T-1095 is an inhibitor of renal glucose reabsorption and the expression of Na+-glucose cotransporters (SGLTs) and facilitative glucose transporter 2 (GLUT2) .
Smiles
COC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C26H28O11
Molecular Weight
516.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

T-1095

((2R,3S,4S,5R,6S)-6-(2-(3-(Benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate is a glycoside and a member of flavonoids.

CAS Number209746-59-8
PubChem CID6918410
IUPAC Name[(2R,3S,4S,5R,6S)-6-[2-[3-(1-benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl methyl carbonate
Molecular FormulaC26H28O11
Molecular Weight516.5
XLogP2.7
Topological Polar Surface Area165
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity778
SMILES
CC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)OC)O)O)O)C(=O)CCC3=CC4=C(C=C3)OC=C4)O
InChI
InChI=1S/C26H28O11/c1-13-9-17(28)21(16(27)5-3-14-4-6-18-15(11-14)7-8-34-18)19(10-13)36-25-24(31)23(30)22(29)20(37-25)12-35-26(32)33-2/h4,6-11,20,22-25,28-31H,3,5,12H2,1-2H3/t20-,22-,23+,24-,25-/m1/s1
InChIKey
BXNCIERBDJYIQT-PRDVQWLOSA-N
Chemical Structure
2D Structure
2D structure of T-1095
CAS: 209746-59-8
CID: 6918410
Formula: C26H28O11
MW: 516.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight516.5
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass516.16316171
Monoisotopic Mass516.16316171
Topological Polar Surface Area165 Ų
Heavy Atom Count37
Formal Charge0
Complexity778
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