1256-86-6
Product Name:
Cholesterol sulfate
Formula:
C27H46O4S
Synonyms:
cholesterol sulfonate; cholesteryl sulfate; sodium cholesteryl sulfate; cholesteryl sulphate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 237.01 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 466.7 g/mol |
|---|---|
| XLogP3 | 8.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 466.31168112 g/mol |
| Monoisotopic Mass | 466.31168112 g/mol |
| Topological Polar Surface Area | 72 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 812 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
Cholesterol sulfate is a steroid sulfate that is cholesterol substituted by a sulfoxy group at position 3. It has a role as a human metabolite. It is functionally related to a cholesterol. It is a conjugate acid of a cholesterol sulfate(1-).