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58543-16-1

58543-16-1 structural image
Product Name: Rebaudioside A
Formula: C44H70O23
Synonyms: ;Glycoside A3;Glycoside X;Stevioside a3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 242 - 244 °C
Collision Cross Section 299.48 Ų [M+H]+ [CCS Type: TW]

COMPUTED DESCRIPTORS

Molecular Weight 967.0 g/mol
XLogP3 -2.8
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 23
Rotatable Bond Count 13
Exact Mass 966.43078848 g/mol
Monoisotopic Mass 966.43078848 g/mol
Topological Polar Surface Area 374 Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1760
Isotope Atom Count 0
Defined Atom Stereocenter Count 26
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Rebaudioside A is a rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside. It has a role as a sweetening agent. It is a beta-D-glucoside, a tetracyclic diterpenoid and a rebaudioside. It is functionally related to a rubusoside and a beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp.