sodium (2S)-2-amino-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoate

• ChemBase ID: 133303
• Molecular Formular: C42H81NNaO10P
• Molecular Mass: 814.056771
• Monoisotopic Mass: 813.54957871
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])N)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OC[C@@H](C(=O)[O-])N)O.[Na+]
• InChI: InChI=1S/C42H82NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/t38-,39+;/m1./s1
• InChIKey: SJRBMGBLPUBGJL-MBAWARMDSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (2S)-2-amino-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoate
• IUPAC Traditional name: sodium (2S)-2-amino-3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoate
• Synonyms: 3-sn-Phosphatidyl-L-serine sodium salt from bovine brain; 1,2-二酰基-sn-甘油-3-磷酸基-L-丝氨酸; L-α-磷脂酰-L-丝氨酸 钠盐; 3-sn-磷脂酰-L-丝氨酸 钠盐 来源于牛大脑

Database IDs

• MDL Number: MFCD00077390
• PubChem SID: 24898688; 162227580
• PubChem CID: 71308653

CALCULATED PROPERTIES

• Acid pKa: 1.468034
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 8.565901
• LogD (pH = 7.4): 8.290437
• Log P: 11.271781
• Molar Refractivity: 226.0749 cm^3
• Polarizability: 86.66767 Å^3
• Polar Surface Area: 174.51 Å^2
• Rotatable Bonds: 44
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (TLC)

DETAILS

Sigma Aldrich - P5660

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
一种主要发现于灰质中的代谢缓慢的结构磷脂。
Caution
该溶液暴露在室温下每天会分解约 0.5%。
Preparation Note
用 EDTA 冲洗可转化为钠盐。