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Remogliflozin Etabonate

CAT: 1596-AR-R01344-01Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-R01344-01Size:150
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CAS Number
442201-24-3
Synonyms
Ethyl (((2R,3S,4S,5R,6S) -3,4,5-trihydroxy-6- ((4- (4-isopropoxybenzyl) -1-isopropyl-5-methyl-1H-pyrazol-3-yl) oxy) tetrahydro-2H-pyran-2-yl) methyl) carbonate
Molecular Formula
C26H38N2O9
Molecular Weight
522.6
API Name
Remogliflozin

Chemical Information

Remogliflozin Etabonate

Remogliflozin etabonate is a glycoside.

CAS Number442201-24-3
PubChem CID9871420
IUPAC Nameethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate
Molecular FormulaC26H38N2O9
Molecular Weight522.6
XLogP3
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity704
SMILES
CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O
InChI
InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1
InChIKey
UAOCLDQAQNNEAX-ABMICEGHSA-N
Chemical Structure
2D Structure
2D structure of Remogliflozin Etabonate
CAS: 442201-24-3
CID: 9871420
Formula: C26H38N2O9
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass522.25773079
Monoisotopic Mass522.25773079
Topological Polar Surface Area142 Ų
Heavy Atom Count37
Formal Charge0
Complexity704
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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