Cas no 898531-99-2 (PBS 57)
PBS 57 structure
Product Name:PBS 57
CAS No:898531-99-2
MF:C50H96N2O9
MW:869.305256843567
CID:1060386
PubChem ID:71751470
Update Time:2025-04-20
PBS 57 Chemical and Physical Properties
Names and Identifiers
-
- PBS 57
- (Z)-N-[(3S,4R)-1-[(2S,4S,5R)-6-(acetamidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
- (15Z)-N-{(3S,4R)-1-[(6-Acetamido-6-deoxy-beta-L-erythro-hexopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}tetracos-15-enamide
- DTXSID80858283
- 898531-99-2
-
- Inchi： 1S/C50H96N2O9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(55)52-42(40-60-50-49(59)48(58)47(57)44(61-50)39-51-41(3)53)46(56)43(54)37-35-33-31-29-27-17-15-13-11-9-7-5-2/h18-19,42-44,46-50,54,56-59H,4-17,20-40H2,1-3H3,(H,51,53)(H,52,55)/b19-18-/t42?,43-,44?,46+,47+,48+,49?,50+/m1/s1
- InChI Key： LIXVHWQNKBIZBR-IZJXYXLGSA-N
- SMILES： O1[C@@H](C([C@H]([C@H](C1CNC(C)=O)O)O)O)OCC([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O
Computed Properties
- Exact Mass: 868.71200
- Monoisotopic Mass: 868.71158264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 61
- Rotatable Bond Count: 42
- Complexity: 1050
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 14
- Topological Polar Surface Area: 178?2
Experimental Properties
- PSA: 184.79000
- LogP: 11.30320
PBS 57 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P215300-20mg |
PBS 57 |
898531-99-2 | 20mg |
$10866.00 | 2023-05-17 | ||
| TRC | P215300-50mg |
PBS 57 |
898531-99-2 | 50mg |
$13323.00 | 2023-05-17 | ||
| TRC | P215300-100mg |
PBS 57 |
898531-99-2 | 100mg |
$ 11200.00 | 2023-09-06 | ||
| Biosynth | MP16830-1 mg |
PBS 57 |
898531-99-2 | 1mg |
$1,042.73 | 2023-01-03 | ||
| Biosynth | MP16830-2 mg |
PBS 57 |
898531-99-2 | 2mg |
$1,895.82 | 2023-01-03 | ||
| Biosynth | MP16830-5 mg |
PBS 57 |
898531-99-2 | 5mg |
$3,446.90 | 2023-01-03 |
PBS 57 Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides of mono- and disaccharides
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides
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