O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
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![O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b12a8be3b9434f65b413a36aa0c88a9d.png "O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine")
O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
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CAS No:
51446-62-9
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Formula:
C13H24NO10P
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Chemical Name:
O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
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Synonyms:
1,2-Distearoyl phosphatidyl serine;1,2-Distearoyl-sn-3-glycerophosphoserine;1,2-Distearoyl-sn-glycero-3-phosphatidylserine;Distearoylphosphatidylserine;Phosphatidyl Serine;Phosphatidylserine;Phosphatidylserine(PS);
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CAS No:
Description
Solid
Solid
1,2-distearoyl-sn-glycero-3-phosphoserine is a 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl group at both positions 1 and 2 is stearoyl. It has a role as a mouse metabolite. It derives from an octadecanoic acid.|Phosphatidylserine is a phospholipid with a polar serine found in phosphoester linkage to diacylglycerol.|Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a SERINE moiety.
O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine Basic Attributes
385.304
385.113770
394XK0IH40
C68417
2922491990
Characteristics
181.49000
0.72
Solid
1.4±0.1 g/cm3
560.3±60.0 °C at 760 mmHg
292.7±32.9 °C
1.495
284.03 Ų [M-H]- [CCS Type: DT, Method: stepped-field]
O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine Use and Manufacturing
Human drugs -> Rare disease (orphan)|Lipids -> Glycerophospholipids [GP] -> Glycerophosphoserines [GP03] -> Diacylglycerophosphoserines [GP0301]
Computed Properties
Molecular Weight:792.1
XLogP3:12.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:44
Exact Mass:791.56763481
Monoisotopic Mass:791.56763481
Topological Polar Surface Area:172
Heavy Atom Count:54
Complexity:937
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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O-[{[(2R)-2-(butanoyloxy)-3-(propanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
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