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2958-04-5

2958-04-5 structural image
Product Name: taurohyodeoxycholic acid
Formula: C26H45NO6S
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 206.3 Ų [M-H]- [CCS Type: DT, Method: single field calibrated]

COMPUTED DESCRIPTORS

Molecular Weight 499.7 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 499.29675933 g/mol
Monoisotopic Mass 499.29675933 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 858
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

Taurohyodeoxycholic acid is a bile acid taurine conjugate. It is a conjugate acid of a taurohyodeoxycholate(1-).