3633-59-8
Product Name:
3'-DEPHOSPHOCOENZYME A
Formula:
C21H35N7O13P2S
Synonyms:
3′-Desphosphocoenzyme A;dpCoA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 238.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 687.6 g/mol |
|---|---|
| XLogP3 | -4.7 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 16 |
| Exact Mass | 687.14887937 g/mol |
| Monoisotopic Mass | 687.14887937 g/mol |
| Topological Polar Surface Area | 301 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
3'-dephospho-CoA is an adenosine 5'-phosphate that is coenzyme A in which the phosphate group at position 3' has been replaced by a hydrogen atom. It is an intermediate metabolite in pantothenate and CoA biosynthesis. It has a role as an Escherichia coli metabolite, a human metabolite and a mouse metabolite. It is functionally related to a coenzyme A. It is a conjugate acid of a 3'-dephospho-CoA(2-).