71204-89-2
Product Name:
1,3-dihydroxy-(1a,3b,5Z,7E)- 24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid
Formula:
C23H34O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 374.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 374.24570956 g/mol |
| Monoisotopic Mass | 374.24570956 g/mol |
| Topological Polar Surface Area | 77.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 661 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Calcitroic acid is a hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group and the C-23/C-27 unit is replaced by a carboxy group. It is a conjugate acid of a calcitroate.