99264-99-0
Product Name:
[R-(all-Z)]-4-Hydroxy-N,N,N-triMethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-3,5,9-trioxa-4-phosphahentriaconta-13,16,19,22,25,28-hexaen-1-aMiniuM Inner Salt 4-Oxide
Formula:
C48H84NO8P
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 296.93 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 298.91 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 304.88 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids] |
| Chemical Classes | Lipids -> Ambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 834.2 g/mol |
|---|---|
| XLogP3 | 13.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 42 |
| Exact Mass | 833.59345564 g/mol |
| Monoisotopic Mass | 833.59345564 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1210 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 6 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-STEAROYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE is a 1,2-diacyl-sn-glycero-3-phosphocholine.