b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI) (CAS 16996-33-1) — formula C25H36O8, molecular weight 464.5; category organic chemicals.
| CAS Number | 16996-33-1 |
|---|---|
| Molecular Formula | C25H36O8 |
| Molecular Weight | 464.5 |
| LogP | 2 |
| Category | Organic Chemicals |
b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI) is a carbon-based organic compound with CAS registry number 16996-33-1 and molecular formula C25H36O8 (molecular weight 464.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 16996-33-1
Its molecular formula C25H36O8 comprises 25 C, 36 H, 8 O atoms.
Also known as: b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI) · b-D-吡喃葡萄糖醛酸，(5a,6a)-7,8-二脱氢-4,5-环氧-3-甲氧基-17-(甲基-d3)吗啡喃-6-基(9Cl)
Category: organic chemicals
The CAS registry number of b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI) is 16996-33-1.
Molecular formula C25H36O8, molecular weight 464.5.
It is also registered under: b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI), b-D-吡喃葡萄糖醛酸，(5a,6a)-7,8-二脱氢-4,5-环氧-3-甲氧基-17-(甲基-d3)吗啡喃-6-基(9Cl).
Category: Organic Chemicals.
Independent reference data for b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI) (CAS 16996-33-1), compiled from public chemistry databases.
| CAS Registry Number | 16996-33-1 |
|---|---|
| PubChem CID | 99564860 |
| Molecular formula | C25H36O8 |
| IUPAC name | (2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| UNII (FDA) | NS00096957 |
| Molecular Weight | 464.5 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 464.24101810 |
| Monoisotopic Mass | 464.24101810 |
| Topological Polar Surface Area | 134 |
| Heavy Atom Count | 33 |
| Collision Cross Section | 221.04 Ų [M-H]- |
|---|---|
| Collision Cross Section | 204.69 Ų [M+H]+ |
Epitestosterone 17-glucuronide; CHEBI:137491; DTXSID401363613; epitestosterone 17-O-(beta-D-glucuronide); NS00096957; 17alpha-testosterone 17-O-(beta-D-glucuronide); 3-oxoandrost-4-en-17alpha-yl beta-D-glucopyranosiduronic acid
b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)morphinan-6-yl(9CI) · CAS 16996-33-1 · C25H36O8. UNII NS00096957. Collision Cross Section: 221.04 Ų [M-H]-; Collision Cross Section: 204.69 Ų [M+H]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: b-D-吡喃葡萄糖醛酸，(5a,6a)-7,8-二脱氢-4,5-环氧-3-甲氧基-17-(甲基-d3)吗啡喃-6-基(9Cl)